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

C22H29FN2O — CID 72949869

IUPAC1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol
SMILESCN(C)CCC(c1ccc(F)cc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H29FN2O/c1-24(2)15-12-21(18-8-10-20(23)11-9-18)25-16-13-22(26,14-17-25)19-6-4-3-5-7-19/h3-11,21,26H,12-17H2,1-2H3
InChIKeyQEGDWFPHRMABMG-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.80
Rot. Bonds6

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

1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol (PubChem CID 72949869) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol
PubChem CID72949869
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol
SMILESCN(C)CCC(c1ccc(F)cc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H29FN2O/c1-24(2)15-12-21(18-8-10-20(23)11-9-18)25-16-13-22(26,14-17-25)19-6-4-3-5-7-19/h3-11,21,26H,12-17H2,1-2H3
InChIKeyQEGDWFPHRMABMG-UHFFFAOYSA-N
XLogP3.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 72949866
1-[1-[amino(methyl)amino]ethyl]-4-phenylpiperidin-4-ol
CID 57010939
4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylpentanamide
CID 54388283
1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 21186599
4-(4-fluorophenyl)-1-[(2S)-2-hydroxy-2-(4-phenylphenyl)ethyl]piperidin-4-ol
CID 51501336
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
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one
CID 23365028
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
tris(but-2-enedioic acid);3-[4-[3-(dimethylamino)-1-phenylpropyl]piperazin-1-yl]propan-1-ol
CID 3067390
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-phenylpiperidin-4-ol?
The IUPAC name of 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol (CID 72949869) is 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol is CN(C)CCC(c1ccc(F)cc1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol?
The InChIKey is QEGDWFPHRMABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-24(2)15-12-21(18-8-10-20(23)11-9-18)25-16-13-22(26,14-17-25)19-6-4-3-5-7-19/h3-11,21,26H,12-17H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol?
1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-phenylpiperidin-4-ol has a molecular weight of 356.49 g/mol, XLogP of 3.80, 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-phenylpiperidin-4-ol is sourced from PubChem (CID 72949869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).