2-(2-methylphenyl)piperidine

C12H17N — CID 3654221

IUPAC2-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1CCCCN1
InChIInChI=1S/C12H17N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12/h2-3,6-7,12-13H,4-5,8-9H2,1H3
InChIKeyQLDMVIFAIGYZPR-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.81
Rot. Bonds1

About 2-(2-methylphenyl)piperidine

2-(2-methylphenyl)piperidine (PubChem CID 3654221) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-(2-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(2-methylphenyl)piperidine
PubChem CID3654221
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1CCCCN1
InChIInChI=1S/C12H17N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12/h2-3,6-7,12-13H,4-5,8-9H2,1H3
InChIKeyQLDMVIFAIGYZPR-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)piperidine?
The IUPAC name of 2-(2-methylphenyl)piperidine (CID 3654221) is 2-(2-methylphenyl)piperidine.
What is the SMILES notation for 2-(2-methylphenyl)piperidine?
The canonical SMILES for 2-(2-methylphenyl)piperidine is Cc1ccccc1C1CCCCN1.
What is the InChIKey of 2-(2-methylphenyl)piperidine?
The InChIKey is QLDMVIFAIGYZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12/h2-3,6-7,12-13H,4-5,8-9H2,1H3.
What are the key properties of 2-(2-methylphenyl)piperidine?
2-(2-methylphenyl)piperidine has a molecular weight of 175.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)piperidine is sourced from PubChem (CID 3654221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).