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

C13H26F3N3O — CID 64791086

IUPAC2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol
SMILESCC(N)(CO)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-12(17,11-20)4-2-3-5-18-6-8-19(9-7-18)10-13(14,15)16/h20H,2-11,17H2,1H3
InChIKeyQUYWIOKAQSRMIL-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.05
Rot. Bonds7

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

2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol (PubChem CID 64791086) has the molecular formula C13H26F3N3O and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol
PubChem CID64791086
Molecular FormulaC13H26F3N3O
Molecular Weight297.37 g/mol
Exact Mass297.20
IUPAC Name2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol
SMILESCC(N)(CO)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-12(17,11-20)4-2-3-5-18-6-8-19(9-7-18)10-13(14,15)16/h20H,2-11,17H2,1H3
InChIKeyQUYWIOKAQSRMIL-UHFFFAOYSA-N
XLogP1.05
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.05
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
[3-Amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol
CID 171101927
[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
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
2-(Ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64790097
2-Amino-2-cyclopropyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64790293
2-Methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64790493
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64790495
2-Methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol
CID 64790691

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol (CID 64791086) is 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol is CC(N)(CO)CCCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol?
The InChIKey is QUYWIOKAQSRMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3O/c1-12(17,11-20)4-2-3-5-18-6-8-19(9-7-18)10-13(14,15)16/h20H,2-11,17H2,1H3.
What are the key properties of 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol?
2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol has a molecular weight of 297.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-ol is sourced from PubChem (CID 64791086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).