2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol

C14H27F3N2O — CID 66178563

IUPAC2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O/c1-11(2)8-13(3,20)9-18-12-4-6-19(7-5-12)10-14(15,16)17/h11-12,18,20H,4-10H2,1-3H3
InChIKeyZLLLEXCTUODNKE-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds6

About 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol

2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol (PubChem CID 66178563) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
PubChem CID66178563
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O/c1-11(2)8-13(3,20)9-18-12-4-6-19(7-5-12)10-14(15,16)17/h11-12,18,20H,4-10H2,1-3H3
InChIKeyZLLLEXCTUODNKE-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol with MolForge

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Related Compounds

2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282
N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine
CID 43758940
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol
CID 114817743
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone
CID 115709475
1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol
CID 66178779
4-methoxy-2-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103784160
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol (CID 66178563) is 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol is CC(C)CC(C)(O)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol?
The InChIKey is ZLLLEXCTUODNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-11(2)8-13(3,20)9-18-12-4-6-19(7-5-12)10-14(15,16)17/h11-12,18,20H,4-10H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol?
2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 66178563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).