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CAS 1219979-08-4 3-(cyclopropylmethyl)piperidine molecular structure lightbox
CAS RN: 1219979-08-4

3-(cyclopropylmethyl)piperidine

  • Product code: SSC-024870
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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: 0.25g
  • 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 1219979-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1219979-08-4 / 3-(cyclopropylmethyl)piperidine

Standard CAS: 1219979-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219979-08-4
Multi CAS
No
Molecular Formula
C9H17N
Molecular Weight
139.240000
Exact Mass
139.136100
SMILES
C1CC(CNC1)CC2CC2
InChI
InChI=1S/C9H17N/c1-2-9(7-10-5-1)6-8-3-4-8/h8-10H,1-7H2
InChIKey
RMSOBTMPBVSYHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.93
TPSA
12.03

LogP / Solubility

WLOGP
1.79
MLOGP
1.56
XLogP3
2
Consensus LogP
1.78
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.3

Drug-likeness / Medicinal Chemistry

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

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