4-(3-butyl-2-methylphenyl)piperidine

C16H25N — CID 130378004

IUPAC4-(3-butyl-2-methylphenyl)piperidine
SMILESCCCCc1cccc(C2CCNCC2)c1C
InChIInChI=1S/C16H25N/c1-3-4-6-14-7-5-8-16(13(14)2)15-9-11-17-12-10-15/h5,7-8,15,17H,3-4,6,9-12H2,1-2H3
InChIKeyULFOERMMLRUVBT-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.80
Rot. Bonds4

About 4-(3-butyl-2-methylphenyl)piperidine

4-(3-butyl-2-methylphenyl)piperidine (PubChem CID 130378004) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-(3-butyl-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-butyl-2-methylphenyl)piperidine
PubChem CID130378004
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-(3-butyl-2-methylphenyl)piperidine
SMILESCCCCc1cccc(C2CCNCC2)c1C
InChIInChI=1S/C16H25N/c1-3-4-6-14-7-5-8-16(13(14)2)15-9-11-17-12-10-15/h5,7-8,15,17H,3-4,6,9-12H2,1-2H3
InChIKeyULFOERMMLRUVBT-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-2-methylphenyl)piperidine?
The IUPAC name of 4-(3-butyl-2-methylphenyl)piperidine (CID 130378004) is 4-(3-butyl-2-methylphenyl)piperidine.
What is the SMILES notation for 4-(3-butyl-2-methylphenyl)piperidine?
The canonical SMILES for 4-(3-butyl-2-methylphenyl)piperidine is CCCCc1cccc(C2CCNCC2)c1C.
What is the InChIKey of 4-(3-butyl-2-methylphenyl)piperidine?
The InChIKey is ULFOERMMLRUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-4-6-14-7-5-8-16(13(14)2)15-9-11-17-12-10-15/h5,7-8,15,17H,3-4,6,9-12H2,1-2H3.
What are the key properties of 4-(3-butyl-2-methylphenyl)piperidine?
4-(3-butyl-2-methylphenyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-2-methylphenyl)piperidine is sourced from PubChem (CID 130378004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).