1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol

C21H26ClFN2O — CID 57093618

IUPAC1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESNC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H26ClFN2O/c22-18-7-5-17(6-8-18)21(26)11-14-25(15-12-21)13-1-2-20(24)16-3-9-19(23)10-4-16/h3-10,20,26H,1-2,11-15,24H2
InChIKeyZKOJHGYAZRUCKE-UHFFFAOYSA-N
MW376.90 g/mol
LogP4.24
Rot. Bonds6

About 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol

1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 57093618) has the molecular formula C21H26ClFN2O and a molecular weight of 376.90 g/mol. Its IUPAC name is 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID57093618
Molecular FormulaC21H26ClFN2O
Molecular Weight376.90 g/mol
Exact Mass376.17
IUPAC Name1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESNC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H26ClFN2O/c22-18-7-5-17(6-8-18)21(26)11-14-25(15-12-21)13-1-2-20(24)16-3-9-19(23)10-4-16/h3-10,20,26H,1-2,11-15,24H2
InChIKeyZKOJHGYAZRUCKE-UHFFFAOYSA-N
XLogP4.24
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.90
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol (CID 57093618) is 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol is NC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is ZKOJHGYAZRUCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN2O/c22-18-7-5-17(6-8-18)21(26)11-14-25(15-12-21)13-1-2-20(24)16-3-9-19(23)10-4-16/h3-10,20,26H,1-2,11-15,24H2.
What are the key properties of 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol?
1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 376.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 57093618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).