4-ethyl-1-hexylpiperidine;formonitrile

C14H28N2 — CID 175874680

IUPAC4-ethyl-1-hexylpiperidine;formonitrile
SMILESC#N.CCCCCCN1CCC(CC)CC1
InChIInChI=1S/C13H27N.CHN/c1-3-5-6-7-10-14-11-8-13(4-2)9-12-14;1-2/h13H,3-12H2,1-2H3;1H
InChIKeyGYVSWNLLVHHWJM-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.83
Rot. Bonds6

About 4-ethyl-1-hexylpiperidine;formonitrile

4-ethyl-1-hexylpiperidine;formonitrile (PubChem CID 175874680) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-ethyl-1-hexylpiperidine;formonitrile.

Molecular Properties

Compound Name4-ethyl-1-hexylpiperidine;formonitrile
PubChem CID175874680
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-ethyl-1-hexylpiperidine;formonitrile
SMILESC#N.CCCCCCN1CCC(CC)CC1
InChIInChI=1S/C13H27N.CHN/c1-3-5-6-7-10-14-11-8-13(4-2)9-12-14;1-2/h13H,3-12H2,1-2H3;1H
InChIKeyGYVSWNLLVHHWJM-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-1-hexylpiperidine;formonitrile 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

4-butyl-1-heptylpiperidine;formonitrile
CID 175849547
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898
4-butyl-1-octylpiperidine
CID 171570418
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
4-fluoro-1-octylpiperidine
CID 130358850
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylaziridine
CID 544653
ethane;1-pentylpiperidin-4-amine
CID 142516102
1-decyl-4-propan-2-ylpiperidine
CID 166461232

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-hexylpiperidine;formonitrile?
The IUPAC name of 4-ethyl-1-hexylpiperidine;formonitrile (CID 175874680) is 4-ethyl-1-hexylpiperidine;formonitrile.
What is the SMILES notation for 4-ethyl-1-hexylpiperidine;formonitrile?
The canonical SMILES for 4-ethyl-1-hexylpiperidine;formonitrile is C#N.CCCCCCN1CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-hexylpiperidine;formonitrile?
The InChIKey is GYVSWNLLVHHWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.CHN/c1-3-5-6-7-10-14-11-8-13(4-2)9-12-14;1-2/h13H,3-12H2,1-2H3;1H.
What are the key properties of 4-ethyl-1-hexylpiperidine;formonitrile?
4-ethyl-1-hexylpiperidine;formonitrile has a molecular weight of 224.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-hexylpiperidine;formonitrile is sourced from PubChem (CID 175874680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).