1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide

C18H25F3N2O2 — CID 52538350

IUPAC1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-2-9-22-17(25)13-7-10-23(11-8-13)12-16(24)14-5-3-4-6-15(14)18(19,20)21/h3-6,13,16,24H,2,7-12H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyLMVHZVMWUNFNTA-INIZCTEOSA-N
MW358.40 g/mol
LogP2.98
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide

1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 52538350) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
PubChem CID52538350
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-2-9-22-17(25)13-7-10-23(11-8-13)12-16(24)14-5-3-4-6-15(14)18(19,20)21/h3-6,13,16,24H,2,7-12H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyLMVHZVMWUNFNTA-INIZCTEOSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 94391399
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
CID 49440645
N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 110913208
2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 97193145
(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 52532585
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
CID 112819537
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 70760706
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 55663165
trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 100842374

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide (CID 52538350) is 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is LMVHZVMWUNFNTA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-2-9-22-17(25)13-7-10-23(11-8-13)12-16(24)14-5-3-4-6-15(14)18(19,20)21/h3-6,13,16,24H,2,7-12H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide?
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 52538350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).