1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine

C17H27N — CID 23128532

IUPAC1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine
SMILESC1=CCC(C2CCCCC2)(N2CCCCC2)C=C1
InChIInChI=1S/C17H27N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h2,6-7,12,16H,1,3-5,8-11,13-15H2
InChIKeyIQLCVIDXSKDHFW-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.31
Rot. Bonds2

About 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine

1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine (PubChem CID 23128532) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine
PubChem CID23128532
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine
SMILESC1=CCC(C2CCCCC2)(N2CCCCC2)C=C1
InChIInChI=1S/C17H27N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h2,6-7,12,16H,1,3-5,8-11,13-15H2
InChIKeyIQLCVIDXSKDHFW-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Halicyclamine A
CID 10479489
(4Z,6Z,14S,19Z,21Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaene
CID 162908492
Hexahydroaporphine
CID 22413538
11-fluoro-2,3,4,4a,4b,5,6,8-octahydro-1H-naphtho[2,1-a]quinolizine
CID 88137705
3-(cyclohexa-2,4-dien-1-ylmethyl)-1-[(2Z,4E)-5-fluorohepta-2,4,6-trienyl]-5-methylpiperidine
CID 138507744
1-(Adamantan-1-yl)-phenylpiperidine
CID 129874823
1-Azatricyclo[7.3.1.05,13]trideca-4,6-diene
CID 18436386
1-[(E)-6-cyclohexylhex-3-enyl]piperidine
CID 21883774
1-(6-Cyclohexylhex-3-enyl)piperidine
CID 53823507
1-Methyl-4-(7-tricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaenyl)piperidine
CID 53971727
1,2-Bis(6-cyclohexylhex-3-enyl)piperidine
CID 54061458
4-Azatricyclo[22.3.1.04,9]octacos-18-ene
CID 54422722

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine?
The IUPAC name of 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine (CID 23128532) is 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine.
What is the SMILES notation for 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine?
The canonical SMILES for 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine is C1=CCC(C2CCCCC2)(N2CCCCC2)C=C1.
What is the InChIKey of 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine?
The InChIKey is IQLCVIDXSKDHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h2,6-7,12,16H,1,3-5,8-11,13-15H2.
What are the key properties of 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine?
1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)piperidine is sourced from PubChem (CID 23128532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).