3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol

C13H25F3N2O — CID 83992078

IUPAC3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCC(C)C(O)CC1CC(NCC(F)(F)F)CN(C)C1
InChIInChI=1S/C13H25F3N2O/c1-9(2)12(19)5-10-4-11(7-18(3)6-10)17-8-13(14,15)16/h9-12,17,19H,4-8H2,1-3H3
InChIKeyYUCWIOHFGNSSAB-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.87
Rot. Bonds5

About 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol

3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83992078) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83992078
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCC(C)C(O)CC1CC(NCC(F)(F)F)CN(C)C1
InChIInChI=1S/C13H25F3N2O/c1-9(2)12(19)5-10-4-11(7-18(3)6-10)17-8-13(14,15)16/h9-12,17,19H,4-8H2,1-3H3
InChIKeyYUCWIOHFGNSSAB-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
CID 83990804
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992057
1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol
CID 83994848
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83988971
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992539
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83992078) is 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is CC(C)C(O)CC1CC(NCC(F)(F)F)CN(C)C1.
What is the InChIKey of 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is YUCWIOHFGNSSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-9(2)12(19)5-10-4-11(7-18(3)6-10)17-8-13(14,15)16/h9-12,17,19H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 282.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83992078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).