(3S)-3-(3-methylphenyl)-1-propylpiperidine

C15H23N — CID 10420915

IUPAC(3S)-3-(3-methylphenyl)-1-propylpiperidine
SMILESCCCN1CCC[C@@H](c2cccc(C)c2)C1
InChIInChI=1S/C15H23N/c1-3-9-16-10-5-8-15(12-16)14-7-4-6-13(2)11-14/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3/t15-/m1/s1
InChIKeyMMNXTTQJJITNJJ-OAHLLOKOSA-N
MW217.36 g/mol
LogP3.58
Rot. Bonds3

About (3S)-3-(3-methylphenyl)-1-propylpiperidine

(3S)-3-(3-methylphenyl)-1-propylpiperidine (PubChem CID 10420915) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3S)-3-(3-methylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name(3S)-3-(3-methylphenyl)-1-propylpiperidine
PubChem CID10420915
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3S)-3-(3-methylphenyl)-1-propylpiperidine
SMILESCCCN1CCC[C@@H](c2cccc(C)c2)C1
InChIInChI=1S/C15H23N/c1-3-9-16-10-5-8-15(12-16)14-7-4-6-13(2)11-14/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3/t15-/m1/s1
InChIKeyMMNXTTQJJITNJJ-OAHLLOKOSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(3-methylphenyl)-1-propylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyproheptadine
CID 2913
Cyproheptadine Hydrochloride
CID 13770
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
Fenpropidin
CID 91694
Budipine
CID 68778
N,N-Dimethylphenylethylamine
CID 25125
Alverine
CID 3678
4-Benzylpiperidine
CID 31738
Fenpiprane
CID 197785
Piperidine, 1-(2-phenylethyl)-
CID 9513
Dimethylamphetamine
CID 20006
Prolintane
CID 14592

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methylphenyl)-1-propylpiperidine?
The IUPAC name of (3S)-3-(3-methylphenyl)-1-propylpiperidine (CID 10420915) is (3S)-3-(3-methylphenyl)-1-propylpiperidine.
What is the SMILES notation for (3S)-3-(3-methylphenyl)-1-propylpiperidine?
The canonical SMILES for (3S)-3-(3-methylphenyl)-1-propylpiperidine is CCCN1CCC[C@@H](c2cccc(C)c2)C1.
What is the InChIKey of (3S)-3-(3-methylphenyl)-1-propylpiperidine?
The InChIKey is MMNXTTQJJITNJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N/c1-3-9-16-10-5-8-15(12-16)14-7-4-6-13(2)11-14/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3S)-3-(3-methylphenyl)-1-propylpiperidine?
(3S)-3-(3-methylphenyl)-1-propylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylphenyl)-1-propylpiperidine is sourced from PubChem (CID 10420915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).