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

C11H22F3N3O — CID 64897967

IUPAC3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCNC(CCO)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-15-10(2-7-18)8-16-3-5-17(6-4-16)9-11(12,13)14/h10,15,18H,2-9H2,1H3
InChIKeyCPLWLKCGIYGKQC-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.14
Rot. Bonds6

About 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol

3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (PubChem CID 64897967) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
PubChem CID64897967
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCNC(CCO)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-15-10(2-7-18)8-16-3-5-17(6-4-16)9-11(12,13)14/h10,15,18H,2-9H2,1H3
InChIKeyCPLWLKCGIYGKQC-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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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (CID 64897967) is 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is CNC(CCO)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is CPLWLKCGIYGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-15-10(2-7-18)8-16-3-5-17(6-4-16)9-11(12,13)14/h10,15,18H,2-9H2,1H3.
What are the key properties of 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-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 3-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 64897967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).