3-(4-methylphenyl)piperidine

C12H17N — CID 10965819

IUPAC3-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C12H17N/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyZZAJVZCDEKJIEC-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.46
Rot. Bonds1

About 3-(4-methylphenyl)piperidine

3-(4-methylphenyl)piperidine (PubChem CID 10965819) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(4-methylphenyl)piperidine
PubChem CID10965819
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C12H17N/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyZZAJVZCDEKJIEC-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)piperidine?
The IUPAC name of 3-(4-methylphenyl)piperidine (CID 10965819) is 3-(4-methylphenyl)piperidine.
What is the SMILES notation for 3-(4-methylphenyl)piperidine?
The canonical SMILES for 3-(4-methylphenyl)piperidine is Cc1ccc(C2CCCNC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)piperidine?
The InChIKey is ZZAJVZCDEKJIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12/h4-7,12-13H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-methylphenyl)piperidine?
3-(4-methylphenyl)piperidine has a molecular weight of 175.28 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)piperidine is sourced from PubChem (CID 10965819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).