2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol

C14H28F3N3O — CID 64790097

IUPAC2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCCNC(C)(CO)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3O/c1-3-18-13(2,12-21)5-4-6-19-7-9-20(10-8-19)11-14(15,16)17/h18,21H,3-12H2,1-2H3
InChIKeyUTKDJZVLPGOTML-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.31
Rot. Bonds8

About 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol

2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (PubChem CID 64790097) has the molecular formula C14H28F3N3O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
PubChem CID64790097
Molecular FormulaC14H28F3N3O
Molecular Weight311.39 g/mol
Exact Mass311.22
IUPAC Name2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCCNC(C)(CO)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3O/c1-3-18-13(2,12-21)5-4-6-19-7-9-20(10-8-19)11-14(15,16)17/h18,21H,3-12H2,1-2H3
InChIKeyUTKDJZVLPGOTML-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

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Related Compounds

3-[1-(2,2,2-Trifluoroethyl)piperazin-2-yl]propan-1-ol
CID 69976541
(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-3-yl]methanol
CID 43752760
[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-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 61647651
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-3-yl]methanol
CID 61647652
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
CID 64789500
2-Methyl-2-(propan-2-ylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790096

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (CID 64790097) is 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is CCNC(C)(CO)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The InChIKey is UTKDJZVLPGOTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3O/c1-3-18-13(2,12-21)5-4-6-19-7-9-20(10-8-19)11-14(15,16)17/h18,21H,3-12H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
2-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-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-(ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 64790097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).