1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one

C19H20ClNO2 — CID 91665640

IUPAC1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one
SMILESCOc1ccc(-c2ccc(Cl)cc2)c(CN2CCC(=O)CC2)c1
InChIInChI=1S/C19H20ClNO2/c1-23-18-6-7-19(14-2-4-16(20)5-3-14)15(12-18)13-21-10-8-17(22)9-11-21/h2-7,12H,8-11,13H2,1H3
InChIKeyMVRVQFPJKZJKOE-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.18
Rot. Bonds4

About 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one

1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one (PubChem CID 91665640) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one
PubChem CID91665640
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one
SMILESCOc1ccc(-c2ccc(Cl)cc2)c(CN2CCC(=O)CC2)c1
InChIInChI=1S/C19H20ClNO2/c1-23-18-6-7-19(14-2-4-16(20)5-3-14)15(12-18)13-21-10-8-17(22)9-11-21/h2-7,12H,8-11,13H2,1H3
InChIKeyMVRVQFPJKZJKOE-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one?
The IUPAC name of 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one (CID 91665640) is 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one is COc1ccc(-c2ccc(Cl)cc2)c(CN2CCC(=O)CC2)c1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one?
The InChIKey is MVRVQFPJKZJKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-23-18-6-7-19(14-2-4-16(20)5-3-14)15(12-18)13-21-10-8-17(22)9-11-21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one?
1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one has a molecular weight of 329.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one is sourced from PubChem (CID 91665640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).