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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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).