1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine

C17H31N — CID 15044719

IUPAC1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine
SMILESCCCCC1CCC(/C=C/N2CCCCC2)CC1
InChIInChI=1S/C17H31N/c1-2-3-7-16-8-10-17(11-9-16)12-15-18-13-5-4-6-14-18/h12,15-17H,2-11,13-14H2,1H3/b15-12+
InChIKeyRKOYOFMXZLTJCE-NTCAYCPXSA-N
MW249.44 g/mol
LogP4.98
Rot. Bonds5

About 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine

1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine (PubChem CID 15044719) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine.

Molecular Properties

Compound Name1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine
PubChem CID15044719
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine
SMILESCCCCC1CCC(/C=C/N2CCCCC2)CC1
InChIInChI=1S/C17H31N/c1-2-3-7-16-8-10-17(11-9-16)12-15-18-13-5-4-6-14-18/h12,15-17H,2-11,13-14H2,1H3/b15-12+
InChIKeyRKOYOFMXZLTJCE-NTCAYCPXSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine?
The IUPAC name of 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine (CID 15044719) is 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine.
What is the SMILES notation for 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine?
The canonical SMILES for 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine is CCCCC1CCC(/C=C/N2CCCCC2)CC1.
What is the InChIKey of 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine?
The InChIKey is RKOYOFMXZLTJCE-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H31N/c1-2-3-7-16-8-10-17(11-9-16)12-15-18-13-5-4-6-14-18/h12,15-17H,2-11,13-14H2,1H3/b15-12+.
What are the key properties of 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine?
1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine has a molecular weight of 249.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-butylcyclohexyl)ethenyl]piperidine is sourced from PubChem (CID 15044719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).