(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol

C13H16F3NO2 — CID 26458695

IUPAC(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-12-5-3-10(4-6-12)8-17-7-1-2-11(18)9-17/h3-6,11,18H,1-2,7-9H2/t11-/m0/s1
InChIKeyMVIBJWXEVFIMDV-NSHDSACASA-N
MW275.27 g/mol
LogP2.54
Rot. Bonds3

About (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol

(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol (PubChem CID 26458695) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
PubChem CID26458695
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)19-12-5-3-10(4-6-12)8-17-7-1-2-11(18)9-17/h3-6,11,18H,1-2,7-9H2/t11-/m0/s1
InChIKeyMVIBJWXEVFIMDV-NSHDSACASA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 56506045
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166606164
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
3-[[4-(trifluoromethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927636

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol (CID 26458695) is (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol?
The InChIKey is MVIBJWXEVFIMDV-NSHDSACASA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)19-12-5-3-10(4-6-12)8-17-7-1-2-11(18)9-17/h3-6,11,18H,1-2,7-9H2/t11-/m0/s1.
What are the key properties of (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol?
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol has a molecular weight of 275.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 26458695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).