[1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C20H22ClNO2 — CID 173184334

IUPAC[1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(c3cc(Cl)ccc3C)CC2)cc1
InChIInChI=1S/C20H22ClNO2/c1-14-3-6-17(21)13-19(14)22-11-9-16(10-12-22)20(23)15-4-7-18(24-2)8-5-15/h3-8,13,16H,9-12H2,1-2H3
InChIKeyGOXKGRJLFHXLSI-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.76
Rot. Bonds4

About [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 173184334) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID173184334
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name[1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(c3cc(Cl)ccc3C)CC2)cc1
InChIInChI=1S/C20H22ClNO2/c1-14-3-6-17(21)13-19(14)22-11-9-16(10-12-22)20(23)15-4-7-18(24-2)8-5-15/h3-8,13,16H,9-12H2,1-2H3
InChIKeyGOXKGRJLFHXLSI-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 174249291
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 25474118
4-chloro-2-(2,4-difluorophenyl)-5-[4-(4-methoxybenzoyl)piperidin-1-yl]pyridazin-3-one
CID 60501220
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 20881463
[1-(4-bromo-2-nitrophenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 55501451
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094147
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133360025

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 173184334) is [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(c3cc(Cl)ccc3C)CC2)cc1.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is GOXKGRJLFHXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-14-3-6-17(21)13-19(14)22-11-9-16(10-12-22)20(23)15-4-7-18(24-2)8-5-15/h3-8,13,16H,9-12H2,1-2H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 343.85 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 173184334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).