(4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone

C19H20ClNO2 — CID 2802385

IUPAC(4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClNO2/c1-23-18-5-3-2-4-17(18)14-10-12-21(13-11-14)19(22)15-6-8-16(20)9-7-15/h2-9,14H,10-13H2,1H3
InChIKeyURWOMOAEGDFDIK-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.37
Rot. Bonds3

About (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 2802385) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID2802385
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name(4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClNO2/c1-23-18-5-3-2-4-17(18)14-10-12-21(13-11-14)19(22)15-6-8-16(20)9-7-15/h2-9,14H,10-13H2,1H3
InChIKeyURWOMOAEGDFDIK-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone (CID 2802385) is (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone is COc1ccccc1C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is URWOMOAEGDFDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-23-18-5-3-2-4-17(18)14-10-12-21(13-11-14)19(22)15-6-8-16(20)9-7-15/h2-9,14H,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 329.83 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 2802385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).