2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine

C23H24ClN3 — CID 110249365

IUPAC2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESClc1ccccc1Cc1cccc(C2CCCN(Cc3ccncc3)C2)n1
InChIInChI=1S/C23H24ClN3/c24-22-8-2-1-5-19(22)15-21-7-3-9-23(26-21)20-6-4-14-27(17-20)16-18-10-12-25-13-11-18/h1-3,5,7-13,20H,4,6,14-17H2
InChIKeyUFUMPASZULEAEZ-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.10
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine

2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 110249365) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
PubChem CID110249365
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC Name2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESClc1ccccc1Cc1cccc(C2CCCN(Cc3ccncc3)C2)n1
InChIInChI=1S/C23H24ClN3/c24-22-8-2-1-5-19(22)15-21-7-3-9-23(26-21)20-6-4-14-27(17-20)16-18-10-12-25-13-11-18/h1-3,5,7-13,20H,4,6,14-17H2
InChIKeyUFUMPASZULEAEZ-UHFFFAOYSA-N
XLogP5.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167
2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809145
2-(2-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809144
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 110254579
2-[(2-methoxyphenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine
CID 95809169
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110254527
N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95810239
2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
2-(2-methoxyphenyl)-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249357
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (CID 110249365) is 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is Clc1ccccc1Cc1cccc(C2CCCN(Cc3ccncc3)C2)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is UFUMPASZULEAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3/c24-22-8-2-1-5-19(22)15-21-7-3-9-23(26-21)20-6-4-14-27(17-20)16-18-10-12-25-13-11-18/h1-3,5,7-13,20H,4,6,14-17H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine has a molecular weight of 377.92 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 110249365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).