3-(3,4-dimethylphenyl)-1-propylpiperidine

C16H25N — CID 10561521

IUPAC3-(3,4-dimethylphenyl)-1-propylpiperidine
SMILESCCCN1CCCC(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C16H25N/c1-4-9-17-10-5-6-16(12-17)15-8-7-13(2)14(3)11-15/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyWKCUEEXFTZSNLI-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.89
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-1-propylpiperidine

3-(3,4-dimethylphenyl)-1-propylpiperidine (PubChem CID 10561521) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-propylpiperidine
PubChem CID10561521
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(3,4-dimethylphenyl)-1-propylpiperidine
SMILESCCCN1CCCC(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C16H25N/c1-4-9-17-10-5-6-16(12-17)15-8-7-13(2)14(3)11-15/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyWKCUEEXFTZSNLI-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-propylpiperidine?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-propylpiperidine (CID 10561521) is 3-(3,4-dimethylphenyl)-1-propylpiperidine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-propylpiperidine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-propylpiperidine is CCCN1CCCC(c2ccc(C)c(C)c2)C1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-propylpiperidine?
The InChIKey is WKCUEEXFTZSNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-9-17-10-5-6-16(12-17)15-8-7-13(2)14(3)11-15/h7-8,11,16H,4-6,9-10,12H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-propylpiperidine?
3-(3,4-dimethylphenyl)-1-propylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-propylpiperidine is sourced from PubChem (CID 10561521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).