2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride

C20H23ClFNO2 — CID 67119848

IUPAC2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride
SMILESCl.O=C(CC1(O)CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H22FNO2.ClH/c21-18-8-6-16(7-9-18)15-22-12-10-20(24,11-13-22)14-19(23)17-4-2-1-3-5-17;/h1-9,24H,10-15H2;1H
InChIKeyGGZKYPKZCHDTHK-UHFFFAOYSA-N
MW363.86 g/mol
LogP3.85
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride

2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride (PubChem CID 67119848) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride
PubChem CID67119848
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride
SMILESCl.O=C(CC1(O)CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H22FNO2.ClH/c21-18-8-6-16(7-9-18)15-22-12-10-20(24,11-13-22)14-19(23)17-4-2-1-3-5-17;/h1-9,24H,10-15H2;1H
InChIKeyGGZKYPKZCHDTHK-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844
2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119934
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 67119971
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109408
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 10112652
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride (CID 67119848) is 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride is Cl.O=C(CC1(O)CCN(Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride?
The InChIKey is GGZKYPKZCHDTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2.ClH/c21-18-8-6-16(7-9-18)15-22-12-10-20(24,11-13-22)14-19(23)17-4-2-1-3-5-17;/h1-9,24H,10-15H2;1H.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride?
2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride has a molecular weight of 363.86 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride is sourced from PubChem (CID 67119848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).