(2S)-1-hept-2-enyl-2-methylpiperidine

C13H25N — CID 70017169

IUPAC(2S)-1-hept-2-enyl-2-methylpiperidine
SMILESCCCCC=CCN1CCCC[C@@H]1C
InChIInChI=1S/C13H25N/c1-3-4-5-6-8-11-14-12-9-7-10-13(14)2/h6,8,13H,3-5,7,9-12H2,1-2H3/t13-/m0/s1
InChIKeyNAMPDQPMOTULEA-ZDUSSCGKSA-N
MW195.35 g/mol
LogP3.61
Rot. Bonds5

About (2S)-1-hept-2-enyl-2-methylpiperidine

(2S)-1-hept-2-enyl-2-methylpiperidine (PubChem CID 70017169) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2S)-1-hept-2-enyl-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-hept-2-enyl-2-methylpiperidine
PubChem CID70017169
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2S)-1-hept-2-enyl-2-methylpiperidine
SMILESCCCCC=CCN1CCCC[C@@H]1C
InChIInChI=1S/C13H25N/c1-3-4-5-6-8-11-14-12-9-7-10-13(14)2/h6,8,13H,3-5,7,9-12H2,1-2H3/t13-/m0/s1
InChIKeyNAMPDQPMOTULEA-ZDUSSCGKSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-1-hept-2-enyl-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)-1-hept-2-enyl-2-methylpiperidine?
The IUPAC name of (2S)-1-hept-2-enyl-2-methylpiperidine (CID 70017169) is (2S)-1-hept-2-enyl-2-methylpiperidine.
What is the SMILES notation for (2S)-1-hept-2-enyl-2-methylpiperidine?
The canonical SMILES for (2S)-1-hept-2-enyl-2-methylpiperidine is CCCCC=CCN1CCCC[C@@H]1C.
What is the InChIKey of (2S)-1-hept-2-enyl-2-methylpiperidine?
The InChIKey is NAMPDQPMOTULEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25N/c1-3-4-5-6-8-11-14-12-9-7-10-13(14)2/h6,8,13H,3-5,7,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-hept-2-enyl-2-methylpiperidine?
(2S)-1-hept-2-enyl-2-methylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-hept-2-enyl-2-methylpiperidine is sourced from PubChem (CID 70017169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).