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CAS 1051919-39-1 2,3-DIHYDRO-1H-INDEN-5-YL 4-PIPERIDINYL ETHERHYDROCHLORIDE molecular structure lightbox
CAS RN: 1051919-39-1

2,3-DIHYDRO-1H-INDEN-5-YL 4-PIPERIDINYL ETHERHYDROCHLORIDE

  • Product code: SSC-006916
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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: 1g
  • 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 1051919-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1051919-39-1 / 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine;hydrochloride

4-((2,3-Dihydro-1H-inden-5-yl)oxy)piperidine hydrochloride | 2,3-Dihydro-1H-inden-5-yl 4-piperidinyl ether hydrochloride | 2,3-Dihydro-1H-inden-5-yl 4-piperidinyl etherhydrochloride

Standard CAS: 1051919-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1051919-39-1
Multi CAS
No
Molecular Formula
C14H20ClNO
Molecular Weight
253.770000
Exact Mass
253.123342
SMILES
C1CC2=C(C1)C=C(C=C2)OC3CCNCC3.Cl
InChI
InChI=1S/C14H19NO.ClH/c1-2-11-4-5-14(10-12(11)3-1)16-13-6-8-15-9-7-13;/h4-5,10,13,15H,1-3,6-9H2;1H
InChIKey
ODSQBZNHOHOPJH-UHFFFAOYSA-N
Synonyms
4-((2,3-Dihydro-1H-inden-5-yl)oxy)piperidine hydrochloride 2,3-Dihydro-1H-inden-5-yl 4-piperidinyl ether hydrochloride 2,3-Dihydro-1H-inden-5-yl 4-piperidinyl etherhydrochloride 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine;hydrochloride MFCD09064899

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.23
TPSA
21.26

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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