1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol

C11H22F3N3O — CID 65450385

IUPAC1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCCN(CC(O)CN1CCNCC1)CC(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-2-16(9-11(12,13)14)7-10(18)8-17-5-3-15-4-6-17/h10,15,18H,2-9H2,1H3
InChIKeyLDMNJWDBTCSOGA-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.14
Rot. Bonds6

About 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol

1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65450385) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65450385
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCCN(CC(O)CN1CCNCC1)CC(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-2-16(9-11(12,13)14)7-10(18)8-17-5-3-15-4-6-17/h10,15,18H,2-9H2,1H3
InChIKeyLDMNJWDBTCSOGA-UHFFFAOYSA-N
XLogP0.14
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
CID 65448308
1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
CID 54773489
1-(1,4-diazepan-1-yl)-3-(dibutylamino)propan-2-ol
CID 54773490
1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450384
1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448121
3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085623
7-[3-(didodecylamino)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde
CID 11039349
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol (CID 65450385) is 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol is CCN(CC(O)CN1CCNCC1)CC(F)(F)F.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is LDMNJWDBTCSOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-2-16(9-11(12,13)14)7-10(18)8-17-5-3-15-4-6-17/h10,15,18H,2-9H2,1H3.
What are the key properties of 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol?
1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65450385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).