1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol

C15H20F4N2O — CID 121304833

IUPAC1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESNCC(Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H20F4N2O/c16-12-3-1-11(2-4-12)9-13(10-20)21-7-5-14(22,6-8-21)15(17,18)19/h1-4,13,22H,5-10,20H2
InChIKeyKSKYAMXNHGGARZ-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.08
Rot. Bonds4

About 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol

1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 121304833) has the molecular formula C15H20F4N2O and a molecular weight of 320.33 g/mol. Its IUPAC name is 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID121304833
Molecular FormulaC15H20F4N2O
Molecular Weight320.33 g/mol
Exact Mass320.15
IUPAC Name1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESNCC(Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H20F4N2O/c16-12-3-1-11(2-4-12)9-13(10-20)21-7-5-14(22,6-8-21)15(17,18)19/h1-4,13,22H,5-10,20H2
InChIKeyKSKYAMXNHGGARZ-UHFFFAOYSA-N
XLogP2.08
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
CID 23641142
3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide
CID 121313654
1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
CID 23641160
4-(Aminomethyl)-1-phenethylpiperidin-4-ol
CID 90271
N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 145974444
4-(Aminomethyl)-1-phenethylpiperidin-4-ol dihydrochloride
CID 3015166
3-(4-Fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 154720410
2-[1-(3-Phenylpropyl)-2-piperazinyl]ethanol
CID 50938285
1-[1-[2-[3,5-Bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
CID 73756080
1-[1-[2-(3-Fluorophenyl)ethyl]piperazin-2-yl]ethanol
CID 73758978
1-[2-(3,4-Difluorophenyl)ethyl]piperazine
CID 11586631
2-Amino-3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol
CID 17978983

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol (CID 121304833) is 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol is NCC(Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is KSKYAMXNHGGARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O/c16-12-3-1-11(2-4-12)9-13(10-20)21-7-5-14(22,6-8-21)15(17,18)19/h1-4,13,22H,5-10,20H2.
What are the key properties of 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 320.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 121304833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).