1-cyclohept-4-en-1-ylpiperidine;ethane

C14H27N — CID 143862937

IUPAC1-cyclohept-4-en-1-ylpiperidine;ethane
SMILESC1=CCCC(N2CCCCC2)CC1.CC
InChIInChI=1S/C12H21N.C2H6/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;1-2/h1-2,12H,3-11H2;1-2H3
InChIKeyIRXKGYVJMQKHET-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.00
Rot. Bonds1

About 1-cyclohept-4-en-1-ylpiperidine;ethane

1-cyclohept-4-en-1-ylpiperidine;ethane (PubChem CID 143862937) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-cyclohept-4-en-1-ylpiperidine;ethane.

Molecular Properties

Compound Name1-cyclohept-4-en-1-ylpiperidine;ethane
PubChem CID143862937
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-cyclohept-4-en-1-ylpiperidine;ethane
SMILESC1=CCCC(N2CCCCC2)CC1.CC
InChIInChI=1S/C12H21N.C2H6/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;1-2/h1-2,12H,3-11H2;1-2H3
InChIKeyIRXKGYVJMQKHET-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohept-4-en-1-ylpiperidine;ethane 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

(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
2-Tropene
CID 10772971
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
1-(Cyclohex-2-en-1-yl)piperidine
CID 258780
8-Methyl-8-azabicyclo(3.2.1)oct-3-ene
CID 564942
1-(Cyclopent-2-en-1-yl)piperidine
CID 12296160
1-(Cyclohepten-1-yl)piperidine
CID 12492386
Trop-6-ene
CID 11029830
1-Ethyl-2-prop-2-enylpiperidine
CID 85661636
9-Methyl-9-azabicyclo[3.3.1]non-2-ene
CID 134896609
N,N-dimethylcyclohept-4-en-1-amine
CID 143122701

Frequently Asked Questions

What is the IUPAC name of 1-cyclohept-4-en-1-ylpiperidine;ethane?
The IUPAC name of 1-cyclohept-4-en-1-ylpiperidine;ethane (CID 143862937) is 1-cyclohept-4-en-1-ylpiperidine;ethane.
What is the SMILES notation for 1-cyclohept-4-en-1-ylpiperidine;ethane?
The canonical SMILES for 1-cyclohept-4-en-1-ylpiperidine;ethane is C1=CCCC(N2CCCCC2)CC1.CC.
What is the InChIKey of 1-cyclohept-4-en-1-ylpiperidine;ethane?
The InChIKey is IRXKGYVJMQKHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C2H6/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;1-2/h1-2,12H,3-11H2;1-2H3.
What are the key properties of 1-cyclohept-4-en-1-ylpiperidine;ethane?
1-cyclohept-4-en-1-ylpiperidine;ethane has a molecular weight of 209.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohept-4-en-1-ylpiperidine;ethane is sourced from PubChem (CID 143862937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).