1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine

C22H26ClN — CID 54435929

IUPAC1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine
SMILESCC(=CCN1CCCCC1C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN/c1-17(14-16-24-15-4-3-5-18(24)2)19-6-8-20(9-7-19)21-10-12-22(23)13-11-21/h6-14,18H,3-5,15-16H2,1-2H3
InChIKeyWKSJAUIFKHAYBF-UHFFFAOYSA-N
MW339.91 g/mol
LogP6.28
Rot. Bonds4

About 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine

1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine (PubChem CID 54435929) has the molecular formula C22H26ClN and a molecular weight of 339.91 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine
PubChem CID54435929
Molecular FormulaC22H26ClN
Molecular Weight339.91 g/mol
Exact Mass339.18
IUPAC Name1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine
SMILESCC(=CCN1CCCCC1C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN/c1-17(14-16-24-15-4-3-5-18(24)2)19-6-8-20(9-7-19)21-10-12-22(23)13-11-21/h6-14,18H,3-5,15-16H2,1-2H3
InChIKeyWKSJAUIFKHAYBF-UHFFFAOYSA-N
XLogP6.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(4-chlorophenyl)phenyl]pent-3-enyl]piperidine
CID 54253677
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CID 62617497
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
CID 21230989
(Z)-3-[4-(4-chlorophenyl)phenyl]-N-propan-2-ylbut-2-en-1-amine
CID 70596966
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
(2-methylpiperidin-1-yl)methanol
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4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92767994
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
1-(4-chlorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 55708364
1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035218
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
CID 8549897
3-chloro-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594028

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine (CID 54435929) is 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine is CC(=CCN1CCCCC1C)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine?
The InChIKey is WKSJAUIFKHAYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN/c1-17(14-16-24-15-4-3-5-18(24)2)19-6-8-20(9-7-19)21-10-12-22(23)13-11-21/h6-14,18H,3-5,15-16H2,1-2H3.
What are the key properties of 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine?
1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine has a molecular weight of 339.91 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenyl)phenyl]but-2-enyl]-2-methylpiperidine is sourced from PubChem (CID 54435929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).