4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol

C21H23ClFNO — CID 155536713

IUPAC4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23ClFNO/c22-19-8-6-18(7-9-19)21(25)12-15-24(16-13-21)14-2-1-3-17-4-10-20(23)11-5-17/h1,3-11,25H,2,12-16H2/b3-1+
InChIKeyDJBHHEQBMOYWRH-HNQUOIGGSA-N
MW359.87 g/mol
LogP4.87
Rot. Bonds5

About 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol (PubChem CID 155536713) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol
PubChem CID155536713
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC Name4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23ClFNO/c22-19-8-6-18(7-9-19)21(25)12-15-24(16-13-21)14-2-1-3-17-4-10-20(23)11-5-17/h1,3-11,25H,2,12-16H2/b3-1+
InChIKeyDJBHHEQBMOYWRH-HNQUOIGGSA-N
XLogP4.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol (CID 155536713) is 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC/C=C/c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol?
The InChIKey is DJBHHEQBMOYWRH-HNQUOIGGSA-N. The full InChI is InChI=1S/C21H23ClFNO/c22-19-8-6-18(7-9-19)21(25)12-15-24(16-13-21)14-2-1-3-17-4-10-20(23)11-5-17/h1,3-11,25H,2,12-16H2/b3-1+.
What are the key properties of 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol has a molecular weight of 359.87 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidin-4-ol is sourced from PubChem (CID 155536713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).