1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol

C15H21F3N2O — CID 93047937

IUPAC1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESNC[C@@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)14(21)6-8-20(9-7-14)13(11-19)10-12-4-2-1-3-5-12/h1-5,13,21H,6-11,19H2/t13-/m1/s1
InChIKeyHPIRTIMESGRRFW-CYBMUJFWSA-N
MW302.34 g/mol
LogP1.95
Rot. Bonds4

About 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol

1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 93047937) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID93047937
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESNC[C@@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)14(21)6-8-20(9-7-14)13(11-19)10-12-4-2-1-3-5-12/h1-5,13,21H,6-11,19H2/t13-/m1/s1
InChIKeyHPIRTIMESGRRFW-CYBMUJFWSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.95
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-[(2R)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpentanamide
CID 145964107
N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 145974444
Piperazine, 1-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 3057395
1-Benzyl-4-(difluoromethyl)piperidin-4-ol
CID 80604998
1-(1-Amino-3-(4-fluorophenyl)propan-2-YL)-4-(trifluoromethyl)piperidin-4-OL
CID 121304833
N-[(2S)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpentanamide
CID 145974902
4-(Aminomethyl)-1-phenethylpiperidin-4-ol dihydrochloride
CID 3015166
2,2,2-trifluoro-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethanamine
CID 10085394

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol (CID 93047937) is 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol is NC[C@@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is HPIRTIMESGRRFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)14(21)6-8-20(9-7-14)13(11-19)10-12-4-2-1-3-5-12/h1-5,13,21H,6-11,19H2/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 302.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-amino-3-phenylpropan-2-yl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 93047937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).