(3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone

C20H22ClNO2 — CID 1437058

IUPAC(3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(CN2CCC(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H22ClNO2/c1-24-19-7-5-15(6-8-19)14-22-11-9-16(10-12-22)20(23)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12,14H2,1H3
InChIKeyJALXFWYMEFQGON-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.44
Rot. Bonds5

About (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone

(3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 1437058) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
PubChem CID1437058
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name(3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(CN2CCC(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H22ClNO2/c1-24-19-7-5-15(6-8-19)14-22-11-9-16(10-12-22)20(23)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12,14H2,1H3
InChIKeyJALXFWYMEFQGON-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone (CID 1437058) is (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone is COc1ccc(CN2CCC(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is JALXFWYMEFQGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-24-19-7-5-15(6-8-19)14-22-11-9-16(10-12-22)20(23)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12,14H2,1H3.
What are the key properties of (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone?
(3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 343.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 1437058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).