4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide

C21H24ClFN2O2 — CID 174708883

IUPAC4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide
SMILESNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O2/c22-17-5-3-16(4-6-17)21(27)10-13-25(14-11-21)12-9-19(20(24)26)15-1-7-18(23)8-2-15/h1-8,19,27H,9-14H2,(H2,24,26)
InChIKeyUSTVUXNJKQGNMU-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.42
Rot. Bonds6

About 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide (PubChem CID 174708883) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide
PubChem CID174708883
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide
SMILESNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O2/c22-17-5-3-16(4-6-17)21(27)10-13-25(14-11-21)12-9-19(20(24)26)15-1-7-18(23)8-2-15/h1-8,19,27H,9-14H2,(H2,24,26)
InChIKeyUSTVUXNJKQGNMU-UHFFFAOYSA-N
XLogP3.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
4-(4-chlorophenyl)-1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 849886
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
acetic acid;1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 131885739
2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorobenzenediazonium chloride
CID 10252564
4-(4-chlorophenyl)-1-[4-(4-methylphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11648468
4-(4-chlorophenyl)-1-[4-hydroxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)butyl]piperidin-4-ol
CID 176515285
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-methylsulfanylpentyl]piperidin-4-ol
CID 67743242
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide
CID 21390741
4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11705066
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide (CID 174708883) is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide is NC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide?
The InChIKey is USTVUXNJKQGNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c22-17-5-3-16(4-6-17)21(27)10-13-25(14-11-21)12-9-19(20(24)26)15-1-7-18(23)8-2-15/h1-8,19,27H,9-14H2,(H2,24,26).
What are the key properties of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide?
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide has a molecular weight of 390.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)butanamide is sourced from PubChem (CID 174708883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).