2-methyl-1-pentylpiperidine

C11H23N — CID 6428893

IUPAC2-methyl-1-pentylpiperidine
SMILESCCCCCN1CCCCC1C
InChIInChI=1S/C11H23N/c1-3-4-6-9-12-10-7-5-8-11(12)2/h11H,3-10H2,1-2H3
InChIKeyZAKOYWKTJPXFDK-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-1-pentylpiperidine

2-methyl-1-pentylpiperidine (PubChem CID 6428893) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-methyl-1-pentylpiperidine.

Molecular Properties

Compound Name2-methyl-1-pentylpiperidine
PubChem CID6428893
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-methyl-1-pentylpiperidine
SMILESCCCCCN1CCCCC1C
InChIInChI=1S/C11H23N/c1-3-4-6-9-12-10-7-5-8-11(12)2/h11H,3-10H2,1-2H3
InChIKeyZAKOYWKTJPXFDK-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-1-pentylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

N,N-Dimethylcyclohexylamine
CID 7415
Cyclohexyldiethylamine
CID 61571
1-Propylpiperidine
CID 21644
Mepiquat
CID 18743
1-Cyclohexylpiperidine
CID 18724
1-Ethyl-1-methylpiperidinium iodide
CID 20153
Methylconiine
CID 169683
1-Butyl-1-methylpiperidinium bromide
CID 19838382
1-Methyl-1-propylpiperidinium iodide
CID 60196387
1-Pentylpiperidine
CID 25153
1,2,6-Trimethylpiperidine
CID 107328
1-Butyl-1-methylpiperidinium iodide
CID 60196384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentylpiperidine?
The IUPAC name of 2-methyl-1-pentylpiperidine (CID 6428893) is 2-methyl-1-pentylpiperidine.
What is the SMILES notation for 2-methyl-1-pentylpiperidine?
The canonical SMILES for 2-methyl-1-pentylpiperidine is CCCCCN1CCCCC1C.
What is the InChIKey of 2-methyl-1-pentylpiperidine?
The InChIKey is ZAKOYWKTJPXFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-4-6-9-12-10-7-5-8-11(12)2/h11H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-pentylpiperidine?
2-methyl-1-pentylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentylpiperidine is sourced from PubChem (CID 6428893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).