(3S)-3-(2,5-dimethylphenyl)piperidine

C13H19N — CID 92981749

IUPAC(3S)-3-(2,5-dimethylphenyl)piperidine
SMILESCc1ccc(C)c([C@@H]2CCCNC2)c1
InChIInChI=1S/C13H19N/c1-10-5-6-11(2)13(8-10)12-4-3-7-14-9-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyHEALJTLYBYMVGC-GFCCVEGCSA-N
MW189.30 g/mol
LogP2.77
Rot. Bonds1

About (3S)-3-(2,5-dimethylphenyl)piperidine

(3S)-3-(2,5-dimethylphenyl)piperidine (PubChem CID 92981749) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3S)-3-(2,5-dimethylphenyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2,5-dimethylphenyl)piperidine
PubChem CID92981749
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3S)-3-(2,5-dimethylphenyl)piperidine
SMILESCc1ccc(C)c([C@@H]2CCCNC2)c1
InChIInChI=1S/C13H19N/c1-10-5-6-11(2)13(8-10)12-4-3-7-14-9-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyHEALJTLYBYMVGC-GFCCVEGCSA-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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Related Compounds

3-(2,4-dimethylphenyl)piperidine
CID 10535662
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386774
5-methyl-3-piperidin-3-yl-1H-indole
CID 54857111
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
(3S)-3-(2-iodo-5-methylphenyl)pyrrolidine
CID 130664930
3-(2,5-dimethylphenyl)-4-methylpiperidine
CID 66273596
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
3,5-dimethyl-8-piperidin-3-ylquinoline
CID 10243377
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5-dimethylphenyl)piperidine?
The IUPAC name of (3S)-3-(2,5-dimethylphenyl)piperidine (CID 92981749) is (3S)-3-(2,5-dimethylphenyl)piperidine.
What is the SMILES notation for (3S)-3-(2,5-dimethylphenyl)piperidine?
The canonical SMILES for (3S)-3-(2,5-dimethylphenyl)piperidine is Cc1ccc(C)c([C@@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-(2,5-dimethylphenyl)piperidine?
The InChIKey is HEALJTLYBYMVGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N/c1-10-5-6-11(2)13(8-10)12-4-3-7-14-9-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3S)-3-(2,5-dimethylphenyl)piperidine?
(3S)-3-(2,5-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 (3S)-3-(2,5-dimethylphenyl)piperidine is sourced from PubChem (CID 92981749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).