(2S)-2-hex-5-enyl-1-methylpiperidine

C12H23N — CID 134905520

IUPAC(2S)-2-hex-5-enyl-1-methylpiperidine
SMILESC=CCCCC[C@H]1CCCCN1C
InChIInChI=1S/C12H23N/c1-3-4-5-6-9-12-10-7-8-11-13(12)2/h3,12H,1,4-11H2,2H3/t12-/m0/s1
InChIKeyRMQWDRRCINMLAG-LBPRGKRZSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds5

About (2S)-2-hex-5-enyl-1-methylpiperidine

(2S)-2-hex-5-enyl-1-methylpiperidine (PubChem CID 134905520) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S)-2-hex-5-enyl-1-methylpiperidine.

Molecular Properties

Compound Name(2S)-2-hex-5-enyl-1-methylpiperidine
PubChem CID134905520
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S)-2-hex-5-enyl-1-methylpiperidine
SMILESC=CCCCC[C@H]1CCCCN1C
InChIInChI=1S/C12H23N/c1-3-4-5-6-9-12-10-7-8-11-13(12)2/h3,12H,1,4-11H2,2H3/t12-/m0/s1
InChIKeyRMQWDRRCINMLAG-LBPRGKRZSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
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)-2-hex-5-enyl-1-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)-2-hex-5-enyl-1-methylpiperidine?
The IUPAC name of (2S)-2-hex-5-enyl-1-methylpiperidine (CID 134905520) is (2S)-2-hex-5-enyl-1-methylpiperidine.
What is the SMILES notation for (2S)-2-hex-5-enyl-1-methylpiperidine?
The canonical SMILES for (2S)-2-hex-5-enyl-1-methylpiperidine is C=CCCCC[C@H]1CCCCN1C.
What is the InChIKey of (2S)-2-hex-5-enyl-1-methylpiperidine?
The InChIKey is RMQWDRRCINMLAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H23N/c1-3-4-5-6-9-12-10-7-8-11-13(12)2/h3,12H,1,4-11H2,2H3/t12-/m0/s1.
What are the key properties of (2S)-2-hex-5-enyl-1-methylpiperidine?
(2S)-2-hex-5-enyl-1-methylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hex-5-enyl-1-methylpiperidine is sourced from PubChem (CID 134905520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).