(3S)-3-heptylpiperidine

C12H25N — CID 155456188

IUPAC(3S)-3-heptylpiperidine
SMILESCCCCCCC[C@H]1CCCNC1
InChIInChI=1S/C12H25N/c1-2-3-4-5-6-8-12-9-7-10-13-11-12/h12-13H,2-11H2,1H3/t12-/m0/s1
InChIKeyDHACZVWBFAKPSE-LBPRGKRZSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds6

About (3S)-3-heptylpiperidine

(3S)-3-heptylpiperidine (PubChem CID 155456188) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (3S)-3-heptylpiperidine.

Molecular Properties

Compound Name(3S)-3-heptylpiperidine
PubChem CID155456188
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(3S)-3-heptylpiperidine
SMILESCCCCCCC[C@H]1CCCNC1
InChIInChI=1S/C12H25N/c1-2-3-4-5-6-8-12-9-7-10-13-11-12/h12-13H,2-11H2,1H3/t12-/m0/s1
InChIKeyDHACZVWBFAKPSE-LBPRGKRZSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-heptylpiperidine 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

(3S)-3-pentylpyrrolidine
CID 10261191
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
3-hexylazetidine
CID 79452100
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
4-pentylazecane
CID 166829392
4-hexadecylpiperidine
CID 54096875
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
N-methyl-N-(piperidin-3-ylmethyl)decanamide
CID 106627816

Frequently Asked Questions

What is the IUPAC name of (3S)-3-heptylpiperidine?
The IUPAC name of (3S)-3-heptylpiperidine (CID 155456188) is (3S)-3-heptylpiperidine.
What is the SMILES notation for (3S)-3-heptylpiperidine?
The canonical SMILES for (3S)-3-heptylpiperidine is CCCCCCC[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-heptylpiperidine?
The InChIKey is DHACZVWBFAKPSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N/c1-2-3-4-5-6-8-12-9-7-10-13-11-12/h12-13H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-heptylpiperidine?
(3S)-3-heptylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-heptylpiperidine is sourced from PubChem (CID 155456188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).