1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol

C27H29ClFNO — CID 174309850

IUPAC1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol
SMILESOC(CCN1CCC(c2ccc(F)cc2)CC1)(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C27H29ClFNO/c28-25-10-6-21(7-11-25)20-27(31,24-4-2-1-3-5-24)16-19-30-17-14-23(15-18-30)22-8-12-26(29)13-9-22/h1-13,23,31H,14-20H2
InChIKeyFZXNTVXJLSZORH-UHFFFAOYSA-N
MW437.99 g/mol
LogP6.18
Rot. Bonds7

About 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol

1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol (PubChem CID 174309850) has the molecular formula C27H29ClFNO and a molecular weight of 437.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol
PubChem CID174309850
Molecular FormulaC27H29ClFNO
Molecular Weight437.99 g/mol
Exact Mass437.19
IUPAC Name1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol
SMILESOC(CCN1CCC(c2ccc(F)cc2)CC1)(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C27H29ClFNO/c28-25-10-6-21(7-11-25)20-27(31,24-4-2-1-3-5-24)16-19-30-17-14-23(15-18-30)22-8-12-26(29)13-9-22/h1-13,23,31H,14-20H2
InChIKeyFZXNTVXJLSZORH-UHFFFAOYSA-N
XLogP6.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.99
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol (CID 174309850) is 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol is OC(CCN1CCC(c2ccc(F)cc2)CC1)(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol?
The InChIKey is FZXNTVXJLSZORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFNO/c28-25-10-6-21(7-11-25)20-27(31,24-4-2-1-3-5-24)16-19-30-17-14-23(15-18-30)22-8-12-26(29)13-9-22/h1-13,23,31H,14-20H2.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol?
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol has a molecular weight of 437.99 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol is sourced from PubChem (CID 174309850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).