1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine

C20H24ClNO — CID 134155651

IUPAC1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
SMILESCOc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C20H24ClNO/c1-15-9-11-22(12-10-15)14-16-7-8-19(21)18(13-16)17-5-3-4-6-20(17)23-2/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyUSNYCMQXMOQTHK-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.25
Rot. Bonds4

About 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine

1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine (PubChem CID 134155651) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
PubChem CID134155651
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
SMILESCOc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C20H24ClNO/c1-15-9-11-22(12-10-15)14-16-7-8-19(21)18(13-16)17-5-3-4-6-20(17)23-2/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyUSNYCMQXMOQTHK-UHFFFAOYSA-N
XLogP5.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine (CID 134155651) is 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine is COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1Cl.
What is the InChIKey of 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
The InChIKey is USNYCMQXMOQTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-15-9-11-22(12-10-15)14-16-7-8-19(21)18(13-16)17-5-3-4-6-20(17)23-2/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine?
1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine has a molecular weight of 329.87 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine is sourced from PubChem (CID 134155651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).