(3S)-3-methylpiperidine

C6H13N — CID 641100

IUPAC(3S)-3-methylpiperidine
SMILESC[C@H]1CCCNC1
InChIInChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyJEGMWWXJUXDNJN-LURJTMIESA-N
MW99.18 g/mol
LogP1.01
Rot. Bonds

About (3S)-3-methylpiperidine

(3S)-3-methylpiperidine (PubChem CID 641100) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (3S)-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-methylpiperidine
PubChem CID641100
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(3S)-3-methylpiperidine
SMILESC[C@H]1CCCNC1
InChIInChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyJEGMWWXJUXDNJN-LURJTMIESA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-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 (3S)-3-methylpiperidine?
The IUPAC name of (3S)-3-methylpiperidine (CID 641100) is (3S)-3-methylpiperidine.
What is the SMILES notation for (3S)-3-methylpiperidine?
The canonical SMILES for (3S)-3-methylpiperidine is C[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-methylpiperidine?
The InChIKey is JEGMWWXJUXDNJN-LURJTMIESA-N. The full InChI is InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-methylpiperidine?
(3S)-3-methylpiperidine has a molecular weight of 99.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpiperidine is sourced from PubChem (CID 641100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).