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CAS 110105-91-4 N-(4-PIPERIDINYLMETHYL)-4-PYRIDINAMINE molecular structure lightbox
CAS RN: 110105-91-4

N-(4-PIPERIDINYLMETHYL)-4-PYRIDINAMINE

  • Product code: SSC-011344
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110105-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry

110105-91-4 / N-(piperidin-4-ylmethyl)pyridin-4-amine

N-(4-Piperidylmethyl)pyridin-4-amine | N-(Piperidin-4-ylmethyl)pyridin-4-amine | N-(4-piperidinylmethyl)-4-pyridinamine

Standard CAS: 110105-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110105-91-4
Multi CAS
No
Molecular Formula
C11H17N3
Molecular Weight
191.270000
Exact Mass
191.142248
SMILES
C1CNCCC1CNC2=CC=NC=C2
InChI
InChI=1S/C11H17N3/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11/h3-4,7-8,10,12H,1-2,5-6,9H2,(H,13,14)
InChIKey
PLJYCBORBFVHSM-UHFFFAOYSA-N
Synonyms
N-(4-Piperidylmethyl)pyridin-4-amine N-(Piperidin-4-ylmethyl)pyridin-4-amine N-(4-piperidinylmethyl)-4-pyridinamine MFCD11974777 SCHEMBL5349891

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.32
TPSA
36.95

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.2
Consensus LogP
1.33
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.83

Drug-likeness / Medicinal Chemistry

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

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