1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol

C16H25FN2O — CID 81115500

IUPAC1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
SMILESCNC(CCN1CCC(C)(O)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-16(20)8-11-19(12-9-16)10-7-15(18-2)13-3-5-14(17)6-4-13/h3-6,15,18,20H,7-12H2,1-2H3
InChIKeyHMKNZYHMODOCGU-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol

1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol (PubChem CID 81115500) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
PubChem CID81115500
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
SMILESCNC(CCN1CCC(C)(O)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-16(20)8-11-19(12-9-16)10-7-15(18-2)13-3-5-14(17)6-4-13/h3-6,15,18,20H,7-12H2,1-2H3
InChIKeyHMKNZYHMODOCGU-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
CID 63619738
1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 62644344
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 112628961
3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007
1-[2-(4-fluorophenyl)sulfanylethyl]-4-methylpiperidin-4-ol
CID 80707257
1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81116508
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 107459390

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol (CID 81115500) is 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol is CNC(CCN1CCC(C)(O)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol?
The InChIKey is HMKNZYHMODOCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-16(20)8-11-19(12-9-16)10-7-15(18-2)13-3-5-14(17)6-4-13/h3-6,15,18,20H,7-12H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol?
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol has a molecular weight of 280.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81115500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).