ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol

C9H18F3NO — CID 90865476

IUPACethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol
SMILESCC.CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO.C2H6/c1-11-4-2-6(12,3-5-11)7(8,9)10;1-2/h12H,2-5H2,1H3;1-2H3
InChIKeyNENIMOPGXIXMMX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.03
Rot. Bonds

About ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol

ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 90865476) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol
PubChem CID90865476
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Nameethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol
SMILESCC.CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO.C2H6/c1-11-4-2-6(12,3-5-11)7(8,9)10;1-2/h12H,2-5H2,1H3;1-2H3
InChIKeyNENIMOPGXIXMMX-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethylpiperidin-4-ol
CID 2776094
1-(2,2-Dimethylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57845663
1-(3,3-Dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57892085
4-(1,1-Difluoroethyl)-1-methanidylpiperidin-1-ium-4-ol
CID 58123612
1-Propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 58386313
1-Methyl-4-(trifluoromethyl)piperidin-4-ol
CID 58742145
1-Tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 58877825
1-(4,4-Dimethylpent-2-ynyl)-4-(trifluoromethyl)piperidin-4-ol
CID 59304265
1-Ethyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644735
1-Propyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644948
1-(2-Methylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 70967810
1-(2,2-Dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
CID 71174605

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol (CID 90865476) is ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol is CC.CN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is NENIMOPGXIXMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.C2H6/c1-11-4-2-6(12,3-5-11)7(8,9)10;1-2/h12H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol?
ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 213.24 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 90865476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).