3-(3-methylphenyl)-4-(1-phenylethyl)piperidine

C20H25N — CID 79432324

IUPAC3-(3-methylphenyl)-4-(1-phenylethyl)piperidine
SMILESCc1cccc(C2CNCCC2C(C)c2ccccc2)c1
InChIInChI=1S/C20H25N/c1-15-7-6-10-18(13-15)20-14-21-12-11-19(20)16(2)17-8-4-3-5-9-17/h3-10,13,16,19-21H,11-12,14H2,1-2H3
InChIKeyVPYIKNOXZLGXLT-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.49
Rot. Bonds3

About 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine

3-(3-methylphenyl)-4-(1-phenylethyl)piperidine (PubChem CID 79432324) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine.

Molecular Properties

Compound Name3-(3-methylphenyl)-4-(1-phenylethyl)piperidine
PubChem CID79432324
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-(3-methylphenyl)-4-(1-phenylethyl)piperidine
SMILESCc1cccc(C2CNCCC2C(C)c2ccccc2)c1
InChIInChI=1S/C20H25N/c1-15-7-6-10-18(13-15)20-14-21-12-11-19(20)16(2)17-8-4-3-5-9-17/h3-10,13,16,19-21H,11-12,14H2,1-2H3
InChIKeyVPYIKNOXZLGXLT-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
4-butan-2-yl-3-(3-methylphenyl)piperidine
CID 79441756
3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
CID 79454812
4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
CID 79320999
4-(2-methylphenyl)-3-(3-methylphenyl)piperidine
CID 79441677
4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
CID 79441754
(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride
CID 21309134
4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
CID 79429992
4-benzhydryl-3-methylpiperidine
CID 56617151
4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
CID 106819222
3-cyclopentyl-4-[3-(difluoromethyl)phenyl]piperidine
CID 115927082

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine?
The IUPAC name of 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine (CID 79432324) is 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine.
What is the SMILES notation for 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine?
The canonical SMILES for 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine is Cc1cccc(C2CNCCC2C(C)c2ccccc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine?
The InChIKey is VPYIKNOXZLGXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-7-6-10-18(13-15)20-14-21-12-11-19(20)16(2)17-8-4-3-5-9-17/h3-10,13,16,19-21H,11-12,14H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine?
3-(3-methylphenyl)-4-(1-phenylethyl)piperidine has a molecular weight of 279.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-4-(1-phenylethyl)piperidine is sourced from PubChem (CID 79432324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).