3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol

C13H24F3NO — CID 152625357

IUPAC3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol
SMILESCCCC(O)(CC)CC1(C(F)(F)F)CCNCC1
InChIInChI=1S/C13H24F3NO/c1-3-5-12(18,4-2)10-11(13(14,15)16)6-8-17-9-7-11/h17-18H,3-10H2,1-2H3
InChIKeyZCJYHLCNGZVOKJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.25
Rot. Bonds5

About 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol

3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol (PubChem CID 152625357) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol
PubChem CID152625357
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol
SMILESCCCC(O)(CC)CC1(C(F)(F)F)CCNCC1
InChIInChI=1S/C13H24F3NO/c1-3-5-12(18,4-2)10-11(13(14,15)16)6-8-17-9-7-11/h17-18H,3-10H2,1-2H3
InChIKeyZCJYHLCNGZVOKJ-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
4-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 83816476
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003
4,4-diethylpiperidine;hydrochloride
CID 75419509
4-tert-butyl-4-(trifluoromethyl)piperidine
CID 122629323
4-methyl-4-(2-methylbutan-2-yl)piperidine
CID 90425347
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
CID 62222206
4-ethyl-7,7-dimethyloctan-4-ol
CID 59856312
ethyl 4-butylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 18318111
N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106116600
ethane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 170646332
1,1,1-trifluoro-4-methylheptan-4-ol
CID 80558654

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol?
The IUPAC name of 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol (CID 152625357) is 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol.
What is the SMILES notation for 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol?
The canonical SMILES for 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol is CCCC(O)(CC)CC1(C(F)(F)F)CCNCC1.
What is the InChIKey of 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol?
The InChIKey is ZCJYHLCNGZVOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-5-12(18,4-2)10-11(13(14,15)16)6-8-17-9-7-11/h17-18H,3-10H2,1-2H3.
What are the key properties of 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol?
3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol has a molecular weight of 267.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)piperidin-4-yl]methyl]hexan-3-ol is sourced from PubChem (CID 152625357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).