2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol

C12H24F3N3O — CID 64792487

IUPAC2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCNC(C)(CO)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O/c1-11(10-19,16-2)3-4-17-5-7-18(8-6-17)9-12(13,14)15/h16,19H,3-10H2,1-2H3
InChIKeyQFYVFLRLIXZTSW-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.53
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol

2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (PubChem CID 64792487) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
PubChem CID64792487
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCNC(C)(CO)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O/c1-11(10-19,16-2)3-4-17-5-7-18(8-6-17)9-12(13,14)15/h16,19H,3-10H2,1-2H3
InChIKeyQFYVFLRLIXZTSW-UHFFFAOYSA-N
XLogP0.53
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{4-[(2,2,2-Trifluoroethyl)amino]piperidin-4-yl}methanol dihydrochloride
CID 71757812
1-[4-[4-(2,2-Difluoroethyl)piperazin-1-yl]piperidin-4-yl]ethanol
CID 174679991
[1-Propyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046015
[1-Ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046380
[1-Propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61046566
[1-Methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61047127
{4-[(2,2,2-Trifluoroethyl)amino]piperidin-4-YL}methanol
CID 61245221
[1-Propan-2-yl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
CID 61979182
[1-Methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
CID 62976053
2-(Propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64789498
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64789499
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64789500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (CID 64792487) is 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is CNC(C)(CO)CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is QFYVFLRLIXZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-11(10-19,16-2)3-4-17-5-7-18(8-6-17)9-12(13,14)15/h16,19H,3-10H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol has a molecular weight of 283.34 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 64792487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).