(3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine

C13H24N2 — CID 125453665

IUPAC(3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine
SMILESC=CC1(N2CCC[C@H](C)C2)CCNCC1
InChIInChI=1S/C13H24N2/c1-3-13(6-8-14-9-7-13)15-10-4-5-12(2)11-15/h3,12,14H,1,4-11H2,2H3/t12-/m0/s1
InChIKeyOQWRKVGEVQGJPQ-LBPRGKRZSA-N
MW208.35 g/mol
LogP2.03
Rot. Bonds2

About (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine

(3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine (PubChem CID 125453665) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine
PubChem CID125453665
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine
SMILESC=CC1(N2CCC[C@H](C)C2)CCNCC1
InChIInChI=1S/C13H24N2/c1-3-13(6-8-14-9-7-13)15-10-4-5-12(2)11-15/h3,12,14H,1,4-11H2,2H3/t12-/m0/s1
InChIKeyOQWRKVGEVQGJPQ-LBPRGKRZSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-1-(4-ethenylpiperidin-4-yl)-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)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine?
The IUPAC name of (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine (CID 125453665) is (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine.
What is the SMILES notation for (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine?
The canonical SMILES for (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine is C=CC1(N2CCC[C@H](C)C2)CCNCC1.
What is the InChIKey of (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine?
The InChIKey is OQWRKVGEVQGJPQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-13(6-8-14-9-7-13)15-10-4-5-12(2)11-15/h3,12,14H,1,4-11H2,2H3/t12-/m0/s1.
What are the key properties of (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine?
(3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine has a molecular weight of 208.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethenylpiperidin-4-yl)-3-methylpiperidine is sourced from PubChem (CID 125453665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).