6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol

C22H35NO — CID 123726167

IUPAC6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol
SMILESCC(=CC=C(C)C(O)C1CCCC1)C=C1CCN(C2CCC2)CC1
InChIInChI=1S/C22H35NO/c1-17(10-11-18(2)22(24)20-6-3-4-7-20)16-19-12-14-23(15-13-19)21-8-5-9-21/h10-11,16,20-22,24H,3-9,12-15H2,1-2H3
InChIKeyGCFLJHVMEBWDPM-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.00
Rot. Bonds5

About 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol

6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol (PubChem CID 123726167) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol
PubChem CID123726167
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol
SMILESCC(=CC=C(C)C(O)C1CCCC1)C=C1CCN(C2CCC2)CC1
InChIInChI=1S/C22H35NO/c1-17(10-11-18(2)22(24)20-6-3-4-7-20)16-19-12-14-23(15-13-19)21-8-5-9-21/h10-11,16,20-22,24H,3-9,12-15H2,1-2H3
InChIKeyGCFLJHVMEBWDPM-UHFFFAOYSA-N
XLogP5.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol with MolForge

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Related Compounds

1-[4-[(1-Cyclobutylpiperidin-4-ylidene)methyl]cyclohexa-1,5-dien-1-yl]-4-propylpentane-1,5-diol
CID 123280097
1-[4-[(1-Cyclobutylpiperidin-4-ylidene)methyl]-5-methylcyclohexa-1,3-dien-1-yl]-3-methoxycycloheptan-1-ol
CID 123782771

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol?
The IUPAC name of 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol (CID 123726167) is 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol?
The canonical SMILES for 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol is CC(=CC=C(C)C(O)C1CCCC1)C=C1CCN(C2CCC2)CC1.
What is the InChIKey of 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol?
The InChIKey is GCFLJHVMEBWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-17(10-11-18(2)22(24)20-6-3-4-7-20)16-19-12-14-23(15-13-19)21-8-5-9-21/h10-11,16,20-22,24H,3-9,12-15H2,1-2H3.
What are the key properties of 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol?
6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol has a molecular weight of 329.53 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclobutylpiperidin-4-ylidene)-1-cyclopentyl-2,5-dimethylhexa-2,4-dien-1-ol is sourced from PubChem (CID 123726167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).