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CAS 14446-67-4 1-ALLYLPIPERIDINE molecular structure lightbox
CAS RN: 14446-67-4

1-ALLYLPIPERIDINE

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8 package records6 with current stock4 grade groups
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Batchno.20260522 1g In stock Shanghai Inquiry
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  • Product code: starshine_CAS14446-67-4
  • Purity/Analytical Methods: >99.0%
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14446-67-4 / 1-prop-2-enylpiperidine

Standard CAS: 14446-67-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14446-67-4
Multi CAS
No
Molecular Formula
C8H15N
Molecular Weight
125.210000
Exact Mass
125.120449
SMILES
C=CCN1CCCCC1
InChI
InChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2
InChIKey
KYGMSGYKSGNPHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.49
TPSA
3.24

LogP / Solubility

WLOGP
1.66
MLOGP
1.45
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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