4-[3-(3,4-dimethylphenyl)propyl]piperidine

C16H25N — CID 82289413

IUPAC4-[3-(3,4-dimethylphenyl)propyl]piperidine
SMILESCc1ccc(CCCC2CCNCC2)cc1C
InChIInChI=1S/C16H25N/c1-13-6-7-16(12-14(13)2)5-3-4-15-8-10-17-11-9-15/h6-7,12,15,17H,3-5,8-11H2,1-2H3
InChIKeyIKXHLWQWQDVAQE-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.63
Rot. Bonds4

About 4-[3-(3,4-dimethylphenyl)propyl]piperidine

4-[3-(3,4-dimethylphenyl)propyl]piperidine (PubChem CID 82289413) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-[3-(3,4-dimethylphenyl)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(3,4-dimethylphenyl)propyl]piperidine
PubChem CID82289413
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-[3-(3,4-dimethylphenyl)propyl]piperidine
SMILESCc1ccc(CCCC2CCNCC2)cc1C
InChIInChI=1S/C16H25N/c1-13-6-7-16(12-14(13)2)5-3-4-15-8-10-17-11-9-15/h6-7,12,15,17H,3-5,8-11H2,1-2H3
InChIKeyIKXHLWQWQDVAQE-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethylphenyl)propyl]piperidine?
The IUPAC name of 4-[3-(3,4-dimethylphenyl)propyl]piperidine (CID 82289413) is 4-[3-(3,4-dimethylphenyl)propyl]piperidine.
What is the SMILES notation for 4-[3-(3,4-dimethylphenyl)propyl]piperidine?
The canonical SMILES for 4-[3-(3,4-dimethylphenyl)propyl]piperidine is Cc1ccc(CCCC2CCNCC2)cc1C.
What is the InChIKey of 4-[3-(3,4-dimethylphenyl)propyl]piperidine?
The InChIKey is IKXHLWQWQDVAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-6-7-16(12-14(13)2)5-3-4-15-8-10-17-11-9-15/h6-7,12,15,17H,3-5,8-11H2,1-2H3.
What are the key properties of 4-[3-(3,4-dimethylphenyl)propyl]piperidine?
4-[3-(3,4-dimethylphenyl)propyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethylphenyl)propyl]piperidine is sourced from PubChem (CID 82289413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).