(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol

C9H16F3NO — CID 103935231

IUPAC(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(14)5-13-4-2-3-8(6-13)9(10,11)12/h7-8,14H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyNMJVNJAIEIAYDF-JAMMHHFISA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

About (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol

(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol (PubChem CID 103935231) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
PubChem CID103935231
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(14)5-13-4-2-3-8(6-13)9(10,11)12/h7-8,14H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyNMJVNJAIEIAYDF-JAMMHHFISA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854
4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 113440626
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol
CID 2077827
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 106933676
1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 102984754
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride
CID 170983124
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118374749
N-(propan-2-ylcarbamoyl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098406
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 100836620

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol (CID 103935231) is (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol is C[C@H](O)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is NMJVNJAIEIAYDF-JAMMHHFISA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(14)5-13-4-2-3-8(6-13)9(10,11)12/h7-8,14H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 103935231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).