3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine

C18H20ClNO — CID 79430329

IUPAC3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO/c1-21-16-7-3-5-14(11-16)17-8-9-20-12-18(17)13-4-2-6-15(19)10-13/h2-7,10-11,17-18,20H,8-9,12H2,1H3
InChIKeySYKBPJGDCLCVHO-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.21
Rot. Bonds3

About 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine

3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine (PubChem CID 79430329) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
PubChem CID79430329
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO/c1-21-16-7-3-5-14(11-16)17-8-9-20-12-18(17)13-4-2-6-15(19)10-13/h2-7,10-11,17-18,20H,8-9,12H2,1H3
InChIKeySYKBPJGDCLCVHO-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
CID 99942545
3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
CID 79455204
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
4-(3-chlorophenyl)-3-propylpiperidine
CID 79321401
3-(3-chlorophenyl)-4-cyclopentylpiperidine
CID 79431788
3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
CID 79433289
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine?
The IUPAC name of 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine (CID 79430329) is 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine?
The canonical SMILES for 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine is COc1cccc(C2CCNCC2c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine?
The InChIKey is SYKBPJGDCLCVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-21-16-7-3-5-14(11-16)17-8-9-20-12-18(17)13-4-2-6-15(19)10-13/h2-7,10-11,17-18,20H,8-9,12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine?
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine has a molecular weight of 301.82 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine is sourced from PubChem (CID 79430329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).