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CAS 1062580-52-2 (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride molecular structure lightbox
CAS RN: 1062580-52-2

(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-008013
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1062580-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

1062580-52-2 / (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride

3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2) | RefChem:505014 | 1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride

Standard CAS: 1062580-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1062580-52-2
Multi CAS
Yes
Molecular Formula
C14H24Cl2N2
Molecular Weight
291.300000
Exact Mass
290.131654
SMILES
C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2.Cl.Cl
InChI
InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m1../s1
InChIKey
CVQNXCBXFOIHLH-DAIKJZOUSA-N
Synonyms
3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2) RefChem:505014 1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride 1-Benzyl-4-methyl-3-(methylamino)piperidine Dihydrochloride MFCD09475546

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.84
TPSA
15.27

LogP / Solubility

WLOGP
2.96
MLOGP
2.62
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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