(3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol

C7H12F3NO — CID 149178234

IUPAC(3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol
SMILESC[C@@H]1CNC[C@H](C(F)(F)F)[C@H]1O
InChIInChI=1S/C7H12F3NO/c1-4-2-11-3-5(6(4)12)7(8,9)10/h4-6,11-12H,2-3H2,1H3/t4-,5+,6+/m1/s1
InChIKeyXAKVVDLXCXOJAW-SRQIZXRXSA-N
MW183.17 g/mol
LogP0.77
Rot. Bonds

About (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol

(3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol (PubChem CID 149178234) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol
PubChem CID149178234
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol
SMILESC[C@@H]1CNC[C@H](C(F)(F)F)[C@H]1O
InChIInChI=1S/C7H12F3NO/c1-4-2-11-3-5(6(4)12)7(8,9)10/h4-6,11-12H,2-3H2,1H3/t4-,5+,6+/m1/s1
InChIKeyXAKVVDLXCXOJAW-SRQIZXRXSA-N
XLogP0.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol
CID 51049977
3,3-Dimethylpiperidin-4-ol
CID 21973736
3-Methylpiperidin-4-ol
CID 4713502
rac-(3R,4S)-3-methylpiperidin-4-ol
CID 7446786
3-Methylpiperidin-4-ol hydrochloride
CID 46736376
2,2,2-Trifluoro-1-(piperidin-4-yl)ethan-1-ol hydrochloride
CID 66728457
3,5-Dimethylpiperidin-4-ol hydrochloride
CID 67315068
(4,4-Difluoropiperidin-3-yl)methanol
CID 67371998
rac-(3R,4R)-3-methylpiperidin-4-ol hydrochloride
CID 69092478
3,3-Difluoropiperidin-4-ol hydrochloride
CID 72207256
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-ol
CID 50990579
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-ol hydrochloride
CID 86767693

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol (CID 149178234) is (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol is C[C@@H]1CNC[C@H](C(F)(F)F)[C@H]1O.
What is the InChIKey of (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol?
The InChIKey is XAKVVDLXCXOJAW-SRQIZXRXSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4-2-11-3-5(6(4)12)7(8,9)10/h4-6,11-12H,2-3H2,1H3/t4-,5+,6+/m1/s1.
What are the key properties of (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol?
(3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol has a molecular weight of 183.17 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 149178234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).