4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine

C11H22F3N3O — CID 62967748

IUPAC4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
SMILESCOCCC(N)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-18-7-2-10(15)8-16-3-5-17(6-4-16)9-11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyKDFTXGHNHTZZSR-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.53
Rot. Bonds6

About 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine

4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine (PubChem CID 62967748) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
PubChem CID62967748
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
SMILESCOCCC(N)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O/c1-18-7-2-10(15)8-16-3-5-17(6-4-16)9-11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyKDFTXGHNHTZZSR-UHFFFAOYSA-N
XLogP0.53
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The IUPAC name of 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine (CID 62967748) is 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine.
What is the SMILES notation for 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The canonical SMILES for 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine is COCCC(N)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The InChIKey is KDFTXGHNHTZZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-18-7-2-10(15)8-16-3-5-17(6-4-16)9-11(12,13)14/h10H,2-9,15H2,1H3.
What are the key properties of 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine has a molecular weight of 269.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine is sourced from PubChem (CID 62967748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).