1-heptan-4-yl-2-methylpiperidine

C13H27N — CID 143279420

IUPAC1-heptan-4-yl-2-methylpiperidine
SMILESCCCC(CCC)N1CCCCC1C
InChIInChI=1S/C13H27N/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3/h12-13H,4-11H2,1-3H3
InChIKeyFDKVHEQNCKWBNO-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.83
Rot. Bonds5

About 1-heptan-4-yl-2-methylpiperidine

1-heptan-4-yl-2-methylpiperidine (PubChem CID 143279420) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-heptan-4-yl-2-methylpiperidine.

Molecular Properties

Compound Name1-heptan-4-yl-2-methylpiperidine
PubChem CID143279420
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-heptan-4-yl-2-methylpiperidine
SMILESCCCC(CCC)N1CCCCC1C
InChIInChI=1S/C13H27N/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3/h12-13H,4-11H2,1-3H3
InChIKeyFDKVHEQNCKWBNO-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-heptan-4-yl-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

Related Compounds

N-methyl-2-(2-methylpiperidin-1-yl)pentan-1-amine
CID 83043313
N-ethyl-2-(2-methylpyrrolidin-1-yl)pentan-1-amine
CID 83043110
3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 62438112
2-(2-methylpyrrolidin-1-yl)octan-1-amine
CID 60975076
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442
2-methyl-1-(2-methylpentan-3-yl)piperidine
CID 89179224
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
2-methyl-1-propan-2-ylazepane
CID 66910895
2-methyl-3-(2-methylazepan-1-yl)-N-propylbutan-1-amine
CID 79409081
2-(2-methylpiperidin-1-yl)propan-1-ol
CID 44827710
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842
3-methoxy-N-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 103225220

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yl-2-methylpiperidine?
The IUPAC name of 1-heptan-4-yl-2-methylpiperidine (CID 143279420) is 1-heptan-4-yl-2-methylpiperidine.
What is the SMILES notation for 1-heptan-4-yl-2-methylpiperidine?
The canonical SMILES for 1-heptan-4-yl-2-methylpiperidine is CCCC(CCC)N1CCCCC1C.
What is the InChIKey of 1-heptan-4-yl-2-methylpiperidine?
The InChIKey is FDKVHEQNCKWBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-heptan-4-yl-2-methylpiperidine?
1-heptan-4-yl-2-methylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yl-2-methylpiperidine is sourced from PubChem (CID 143279420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).