2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol

C10H20F3N3O — CID 103366158

IUPAC2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol
SMILESNCC(CN1CCN(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c11-10(12,13)9(7-14)8-16-3-1-15(2-4-16)5-6-17/h9,17H,1-8,14H2
InChIKeyKTLGISIVBHTXNN-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.27
Rot. Bonds5

About 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol

2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol (PubChem CID 103366158) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol
PubChem CID103366158
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol
SMILESNCC(CN1CCN(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c11-10(12,13)9(7-14)8-16-3-1-15(2-4-16)5-6-17/h9,17H,1-8,14H2
InChIKeyKTLGISIVBHTXNN-UHFFFAOYSA-N
XLogP-0.27
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol (CID 103366158) is 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol is NCC(CN1CCN(CCO)CC1)C(F)(F)F.
What is the InChIKey of 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol?
The InChIKey is KTLGISIVBHTXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c11-10(12,13)9(7-14)8-16-3-1-15(2-4-16)5-6-17/h9,17H,1-8,14H2.
What are the key properties of 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol?
2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol has a molecular weight of 255.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 103366158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).