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

C21H21ClFNO — CID 18427972

IUPAC4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCC#Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21ClFNO/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/h4-11,25H,2,12-16H2
InChIKeyFCFNEHFCHRJYQM-UHFFFAOYSA-N
MW357.86 g/mol
LogP4.20
Rot. Bonds3

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

4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol (PubChem CID 18427972) has the molecular formula C21H21ClFNO and a molecular weight of 357.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol
PubChem CID18427972
Molecular FormulaC21H21ClFNO
Molecular Weight357.86 g/mol
Exact Mass357.13
IUPAC Name4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCC#Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21ClFNO/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/h4-11,25H,2,12-16H2
InChIKeyFCFNEHFCHRJYQM-UHFFFAOYSA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol (CID 18427972) is 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCC#Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol?
The InChIKey is FCFNEHFCHRJYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFNO/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/h4-11,25H,2,12-16H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol has a molecular weight of 357.86 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)but-3-ynyl]piperidin-4-ol is sourced from PubChem (CID 18427972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).