2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol

C14H28F3N3O — CID 64790691

IUPAC2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3O/c1-13(12-21,18-2)5-3-4-6-19-7-9-20(10-8-19)11-14(15,16)17/h18,21H,3-12H2,1-2H3
InChIKeySFODHQJAOKEABJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.31
Rot. Bonds8

About 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol

2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol (PubChem CID 64790691) has the molecular formula C14H28F3N3O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol
PubChem CID64790691
Molecular FormulaC14H28F3N3O
Molecular Weight311.39 g/mol
Exact Mass311.22
IUPAC Name2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3O/c1-13(12-21,18-2)5-3-4-6-19-7-9-20(10-8-19)11-14(15,16)17/h18,21H,3-12H2,1-2H3
InChIKeySFODHQJAOKEABJ-UHFFFAOYSA-N
XLogP1.31
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-1-ol
CID 134355599
2,5-Dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61045279
[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-Methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61047127
4-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
CID 61247005
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-2-yl]methanol
CID 61407087
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]methanol
CID 61648294
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-2-yl]methanol
CID 61648295
3-[2-[(Tert-butylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63900069
2-Ethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 63951259
[1-[2-(Diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol (CID 64790691) is 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol is CNC(C)(CO)CCCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol?
The InChIKey is SFODHQJAOKEABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3O/c1-13(12-21,18-2)5-3-4-6-19-7-9-20(10-8-19)11-14(15,16)17/h18,21H,3-12H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol?
2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol has a molecular weight of 311.39 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol is sourced from PubChem (CID 64790691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).