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CAS 1020277-40-0 6-(piperidin-4-yl)quinoline dihydrochloride molecular structure lightbox
CAS RN: 1020277-40-0

6-(piperidin-4-yl)quinoline dihydrochloride

  • Product code: SSC-003271
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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 1020277-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1020277-40-0 / 6-piperidin-4-ylquinoline

6-(piperidin-4-yl)quinoline | 6-(4-Piperidinyl)quinoline | 6-piperidin-4-ylquinoline

Standard CAS: 1020277-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1020277-40-0
Multi CAS
No
Molecular Formula
C14H16N2
Molecular Weight
212.290000
Exact Mass
212.131349
SMILES
C1CNCCC1C2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C14H16N2/c1-2-13-10-12(3-4-14(13)16-7-1)11-5-8-15-9-6-11/h1-4,7,10-11,15H,5-6,8-9H2
InChIKey
NWBRQASBWJBNJK-UHFFFAOYSA-N
Synonyms
6-(piperidin-4-yl)quinoline 6-(4-Piperidinyl)quinoline 6-piperidin-4-ylquinoline Quinoline, 6-(4-piperidinyl)- MFCD17484977

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.59
TPSA
24.92

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

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

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