3-(3,5-dimethylphenyl)piperidine

C13H19N — CID 10035413

IUPAC3-(3,5-dimethylphenyl)piperidine
SMILESCc1cc(C)cc(C2CCCNC2)c1
InChIInChI=1S/C13H19N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14-9-12/h6-8,12,14H,3-5,9H2,1-2H3
InChIKeyKCTMOZHTZAFYSJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.77
Rot. Bonds1

About 3-(3,5-dimethylphenyl)piperidine

3-(3,5-dimethylphenyl)piperidine (PubChem CID 10035413) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)piperidine
PubChem CID10035413
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-(3,5-dimethylphenyl)piperidine
SMILESCc1cc(C)cc(C2CCCNC2)c1
InChIInChI=1S/C13H19N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14-9-12/h6-8,12,14H,3-5,9H2,1-2H3
InChIKeyKCTMOZHTZAFYSJ-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)piperidine?
The IUPAC name of 3-(3,5-dimethylphenyl)piperidine (CID 10035413) is 3-(3,5-dimethylphenyl)piperidine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)piperidine?
The canonical SMILES for 3-(3,5-dimethylphenyl)piperidine is Cc1cc(C)cc(C2CCCNC2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)piperidine?
The InChIKey is KCTMOZHTZAFYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14-9-12/h6-8,12,14H,3-5,9H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)piperidine?
3-(3,5-dimethylphenyl)piperidine has a molecular weight of 189.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)piperidine is sourced from PubChem (CID 10035413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).