4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine

C17H27N — CID 174764120

IUPAC4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine
SMILESC1=CC(C2CCCCC2C2CCNCC2)=CCC1
InChIInChI=1S/C17H27N/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)15-10-12-18-13-11-15/h2,6-7,15-18H,1,3-5,8-13H2
InChIKeyWQMHNMMVVPPLFT-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.07
Rot. Bonds2

About 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine

4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine (PubChem CID 174764120) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine.

Molecular Properties

Compound Name4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine
PubChem CID174764120
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine
SMILESC1=CC(C2CCCCC2C2CCNCC2)=CCC1
InChIInChI=1S/C17H27N/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)15-10-12-18-13-11-15/h2,6-7,15-18H,1,3-5,8-13H2
InChIKeyWQMHNMMVVPPLFT-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine?
The IUPAC name of 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine (CID 174764120) is 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine.
What is the SMILES notation for 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine?
The canonical SMILES for 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine is C1=CC(C2CCCCC2C2CCNCC2)=CCC1.
What is the InChIKey of 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine?
The InChIKey is WQMHNMMVVPPLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)15-10-12-18-13-11-15/h2,6-7,15-18H,1,3-5,8-13H2.
What are the key properties of 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine?
4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine is sourced from PubChem (CID 174764120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).