(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol

C10H19F3N2O — CID 103788940

IUPAC(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
SMILESC[C@@H](CO)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-8(6-16)14-9-2-4-15(5-3-9)7-10(11,12)13/h8-9,14,16H,2-7H2,1H3/t8-/m0/s1
InChIKeyYBNHVDDVGDLDSY-QMMMGPOBSA-N
MW240.27 g/mol
LogP0.98
Rot. Bonds4

About (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol

(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 103788940) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID103788940
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
SMILESC[C@@H](CO)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-8(6-16)14-9-2-4-15(5-3-9)7-10(11,12)13/h8-9,14,16H,2-7H2,1H3/t8-/m0/s1
InChIKeyYBNHVDDVGDLDSY-QMMMGPOBSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724759
4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
CID 103786438
2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724726
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766678
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol (CID 103788940) is (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol is C[C@@H](CO)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is YBNHVDDVGDLDSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(6-16)14-9-2-4-15(5-3-9)7-10(11,12)13/h8-9,14,16H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 103788940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).