1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol

C21H28FNO — CID 141018966

IUPAC1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(CCCCC2C=CC=CC2)CC1
InChIInChI=1S/C21H28FNO/c22-20-11-9-19(10-12-20)21(24)13-16-23(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6,9-12,18,24H,4-5,7-8,13-17H2
InChIKeyWOJMZHIHWUSIBF-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.41
Rot. Bonds6

About 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol

1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 141018966) has the molecular formula C21H28FNO and a molecular weight of 329.46 g/mol. Its IUPAC name is 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID141018966
Molecular FormulaC21H28FNO
Molecular Weight329.46 g/mol
Exact Mass329.22
IUPAC Name1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(CCCCC2C=CC=CC2)CC1
InChIInChI=1S/C21H28FNO/c22-20-11-9-19(10-12-20)21(24)13-16-23(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6,9-12,18,24H,4-5,7-8,13-17H2
InChIKeyWOJMZHIHWUSIBF-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 2448
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351
2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide
CID 46965059
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]piperidin-1-yl]butan-1-one
CID 169434504
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol
CID 67743242
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965115
1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol
CID 173319576
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide
CID 174708883

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol (CID 141018966) is 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(CCCCC2C=CC=CC2)CC1.
What is the InChIKey of 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is WOJMZHIHWUSIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO/c22-20-11-9-19(10-12-20)21(24)13-16-23(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6,9-12,18,24H,4-5,7-8,13-17H2.
What are the key properties of 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol?
1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 329.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-2,4-dien-1-ylbutyl)-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 141018966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).