3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine

C21H29N3 — CID 22676613

IUPAC3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESc1ccc(CC2CCN(CCCNCc3cccnc3)CC2)cc1
InChIInChI=1S/C21H29N3/c1-2-6-19(7-3-1)16-20-9-14-24(15-10-20)13-5-12-23-18-21-8-4-11-22-17-21/h1-4,6-8,11,17,20,23H,5,9-10,12-16,18H2
InChIKeyCYQPFLVAVHFJMK-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.52
Rot. Bonds8

About 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine

3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 22676613) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID22676613
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESc1ccc(CC2CCN(CCCNCc3cccnc3)CC2)cc1
InChIInChI=1S/C21H29N3/c1-2-6-19(7-3-1)16-20-9-14-24(15-10-20)13-5-12-23-18-21-8-4-11-22-17-21/h1-4,6-8,11,17,20,23H,5,9-10,12-16,18H2
InChIKeyCYQPFLVAVHFJMK-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine (CID 22676613) is 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine is c1ccc(CC2CCN(CCCNCc3cccnc3)CC2)cc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is CYQPFLVAVHFJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-2-6-19(7-3-1)16-20-9-14-24(15-10-20)13-5-12-23-18-21-8-4-11-22-17-21/h1-4,6-8,11,17,20,23H,5,9-10,12-16,18H2.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 323.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 22676613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).