1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol

C22H28F2N2O — CID 72949866

IUPAC1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCN(C)CCC(c1ccc(F)cc1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28F2N2O/c1-25(2)14-11-21(17-3-7-19(23)8-4-17)26-15-12-22(27,13-16-26)18-5-9-20(24)10-6-18/h3-10,21,27H,11-16H2,1-2H3
InChIKeyTYDGFNCFZFHFEZ-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.94
Rot. Bonds6

About 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol

1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 72949866) has the molecular formula C22H28F2N2O and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID72949866
Molecular FormulaC22H28F2N2O
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCN(C)CCC(c1ccc(F)cc1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28F2N2O/c1-25(2)14-11-21(17-3-7-19(23)8-4-17)26-15-12-22(27,13-16-26)18-5-9-20(24)10-6-18/h3-10,21,27H,11-16H2,1-2H3
InChIKeyTYDGFNCFZFHFEZ-UHFFFAOYSA-N
XLogP3.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol
CID 72949869
4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol
CID 65077824
4-(4-fluorophenyl)-1-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 57045332
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
CID 58721778
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
1-[1-(3-fluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 73195170
N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 54767410
4-(4-chlorophenyl)-1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 849886
4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylpentanamide
CID 54388283
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
CID 82077294

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol (CID 72949866) is 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol is CN(C)CCC(c1ccc(F)cc1)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is TYDGFNCFZFHFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O/c1-25(2)14-11-21(17-3-7-19(23)8-4-17)26-15-12-22(27,13-16-26)18-5-9-20(24)10-6-18/h3-10,21,27H,11-16H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol?
1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 374.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 72949866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).