1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine

C19H22ClNO — CID 2802689

IUPAC1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClNO/c1-22-19-9-5-3-7-17(19)15-10-12-21(13-11-15)14-16-6-2-4-8-18(16)20/h2-9,15H,10-14H2,1H3
InChIKeyRMNBYKGNVOZKMR-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.73
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine

1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine (PubChem CID 2802689) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine
PubChem CID2802689
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H22ClNO/c1-22-19-9-5-3-7-17(19)15-10-12-21(13-11-15)14-16-6-2-4-8-18(16)20/h2-9,15H,10-14H2,1H3
InChIKeyRMNBYKGNVOZKMR-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine (CID 2802689) is 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine is COc1ccccc1C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine?
The InChIKey is RMNBYKGNVOZKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-22-19-9-5-3-7-17(19)15-10-12-21(13-11-15)14-16-6-2-4-8-18(16)20/h2-9,15H,10-14H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine?
1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine has a molecular weight of 315.84 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine is sourced from PubChem (CID 2802689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).