3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine

C18H22ClN3 — CID 71862299

IUPAC3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine
SMILESClc1cnccc1NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C18H22ClN3/c19-17-13-20-9-8-18(17)21-12-15-6-2-3-7-16(15)14-22-10-4-1-5-11-22/h2-3,6-9,13H,1,4-5,10-12,14H2,(H,20,21)
InChIKeyJLSPYYOEIZPSMZ-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.33
Rot. Bonds5

About 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine

3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine (PubChem CID 71862299) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine
PubChem CID71862299
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine
SMILESClc1cnccc1NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C18H22ClN3/c19-17-13-20-9-8-18(17)21-12-15-6-2-3-7-16(15)14-22-10-4-1-5-11-22/h2-3,6-9,13H,1,4-5,10-12,14H2,(H,20,21)
InChIKeyJLSPYYOEIZPSMZ-UHFFFAOYSA-N
XLogP4.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine (CID 71862299) is 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine is Clc1cnccc1NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine?
The InChIKey is JLSPYYOEIZPSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c19-17-13-20-9-8-18(17)21-12-15-6-2-3-7-16(15)14-22-10-4-1-5-11-22/h2-3,6-9,13H,1,4-5,10-12,14H2,(H,20,21).
What are the key properties of 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine?
3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine has a molecular weight of 315.85 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 71862299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).