(2S,5R)-5-benzyl-2-methylpiperidine

C13H19N — CID 130765176

IUPAC(2S,5R)-5-benzyl-2-methylpiperidine
SMILESC[C@H]1CC[C@H](Cc2ccccc2)CN1
InChIInChI=1S/C13H19N/c1-11-7-8-13(10-14-11)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyRWEQQELXXXXHET-WCQYABFASA-N
MW189.30 g/mol
LogP2.62
Rot. Bonds2

About (2S,5R)-5-benzyl-2-methylpiperidine

(2S,5R)-5-benzyl-2-methylpiperidine (PubChem CID 130765176) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2S,5R)-5-benzyl-2-methylpiperidine.

Molecular Properties

Compound Name(2S,5R)-5-benzyl-2-methylpiperidine
PubChem CID130765176
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2S,5R)-5-benzyl-2-methylpiperidine
SMILESC[C@H]1CC[C@H](Cc2ccccc2)CN1
InChIInChI=1S/C13H19N/c1-11-7-8-13(10-14-11)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyRWEQQELXXXXHET-WCQYABFASA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,5R)-5-benzyl-2-methylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-benzyl-2-methylpiperidine?
The IUPAC name of (2S,5R)-5-benzyl-2-methylpiperidine (CID 130765176) is (2S,5R)-5-benzyl-2-methylpiperidine.
What is the SMILES notation for (2S,5R)-5-benzyl-2-methylpiperidine?
The canonical SMILES for (2S,5R)-5-benzyl-2-methylpiperidine is C[C@H]1CC[C@H](Cc2ccccc2)CN1.
What is the InChIKey of (2S,5R)-5-benzyl-2-methylpiperidine?
The InChIKey is RWEQQELXXXXHET-WCQYABFASA-N. The full InChI is InChI=1S/C13H19N/c1-11-7-8-13(10-14-11)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of (2S,5R)-5-benzyl-2-methylpiperidine?
(2S,5R)-5-benzyl-2-methylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-benzyl-2-methylpiperidine is sourced from PubChem (CID 130765176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).