1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol

C13H24F3NO — CID 79065807

IUPAC1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol
SMILESCCC(C)(C(O)CCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H24F3NO/c1-3-12(2,17-9-5-4-6-10-17)11(18)7-8-13(14,15)16/h11,18H,3-10H2,1-2H3
InChIKeyWHRKBRULVAHFAD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds5

About 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol

1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol (PubChem CID 79065807) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol
PubChem CID79065807
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol
SMILESCCC(C)(C(O)CCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H24F3NO/c1-3-12(2,17-9-5-4-6-10-17)11(18)7-8-13(14,15)16/h11,18H,3-10H2,1-2H3
InChIKeyWHRKBRULVAHFAD-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine
CID 104301
1,1,1-Trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 3416712
1,2,2,5-Tetramethylpiperidin-3-ol
CID 4265959
(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 1482207
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
2,2,6,6-Tetramethyl-1-(2,2,2-trifluoro-ethyl)-piperidin-4-ol
CID 68830384
1,1,1-Trifluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 71143035
1-Tert-butyl-3-(trifluoromethyl)piperidin-4-ol
CID 90176901
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
1-Butyl-5-(difluoromethyl)piperidin-3-ol
CID 126716145
1-Tert-butyl-4-fluoro-4-methylpiperidin-3-ol
CID 135271494
1-(1-Tert-butylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 135275098

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol?
The IUPAC name of 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol (CID 79065807) is 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol?
The canonical SMILES for 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol is CCC(C)(C(O)CCC(F)(F)F)N1CCCCC1.
What is the InChIKey of 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol?
The InChIKey is WHRKBRULVAHFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-12(2,17-9-5-4-6-10-17)11(18)7-8-13(14,15)16/h11,18H,3-10H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol?
1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol has a molecular weight of 267.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methyl-5-piperidin-1-ylheptan-4-ol is sourced from PubChem (CID 79065807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).