5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine

C25H27ClN2 — CID 125027075

IUPAC5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
SMILESClc1ccc(Cc2ccc([C@@H]3CCCN(CCc4ccccc4)C3)nc2)cc1
InChIInChI=1S/C25H27ClN2/c26-24-11-8-21(9-12-24)17-22-10-13-25(27-18-22)23-7-4-15-28(19-23)16-14-20-5-2-1-3-6-20/h1-3,5-6,8-13,18,23H,4,7,14-17,19H2/t23-/m1/s1
InChIKeyZYHKQGOSLNQTTQ-HSZRJFAPSA-N
MW390.96 g/mol
LogP5.75
Rot. Bonds6

About 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine

5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine (PubChem CID 125027075) has the molecular formula C25H27ClN2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
PubChem CID125027075
Molecular FormulaC25H27ClN2
Molecular Weight390.96 g/mol
Exact Mass390.19
IUPAC Name5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
SMILESClc1ccc(Cc2ccc([C@@H]3CCCN(CCc4ccccc4)C3)nc2)cc1
InChIInChI=1S/C25H27ClN2/c26-24-11-8-21(9-12-24)17-22-10-13-25(27-18-22)23-7-4-15-28(19-23)16-14-20-5-2-1-3-6-20/h1-3,5-6,8-13,18,23H,4,7,14-17,19H2/t23-/m1/s1
InChIKeyZYHKQGOSLNQTTQ-HSZRJFAPSA-N
XLogP5.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.96
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine
CID 110093308
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 92616437
4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 110093323
1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 129455778
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 129458828
N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine
CID 89100460
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(5-benzyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92616543
N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615559
[(3S)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
CID 129456327
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine (CID 125027075) is 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine is Clc1ccc(Cc2ccc([C@@H]3CCCN(CCc4ccccc4)C3)nc2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine?
The InChIKey is ZYHKQGOSLNQTTQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27ClN2/c26-24-11-8-21(9-12-24)17-22-10-13-25(27-18-22)23-7-4-15-28(19-23)16-14-20-5-2-1-3-6-20/h1-3,5-6,8-13,18,23H,4,7,14-17,19H2/t23-/m1/s1.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine?
5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine has a molecular weight of 390.96 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 125027075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).