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CAS 105973-51-1 1-Benzyl-3-piperidinol hydrochloride molecular structure lightbox
CAS RN: 105973-51-1

1-Benzyl-3-piperidinol hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-007612
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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: 100g
  • Available purity: ＞97%
  • 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 105973-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

105973-51-1 / 1-benzylpiperidin-3-ol;hydrochloride

1-Benzyl-3-piperidinol hydrochloride | 1-Benzylpiperidin-3-ol hydrochloride | 1-Benzyl-3-piperidinol HCl

Standard CAS: 105973-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105973-51-1
Multi CAS
Yes
Molecular Formula
C12H18ClNO
Molecular Weight
227.730000
Exact Mass
227.107692
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)O.Cl
InChI
InChI=1S/C12H17NO.ClH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6,12,14H,4,7-10H2;1H
InChIKey
PHJDPNCYJSWYGY-UHFFFAOYSA-N
Synonyms
1-Benzyl-3-piperidinol hydrochloride 1-Benzylpiperidin-3-ol hydrochloride 1-Benzyl-3-piperidinol HCl 1-benzylpiperidin-3-ol;hydrochloride MFCD00044200

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.21
TPSA
23.47

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.07
Consensus LogP
1.99
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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