2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H20F3N3 — CID 103366077

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCN1CCN(CC(CN)C(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-2-15-3-5-16(6-4-15)8-9(7-14)10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyNKQQGYGUWSYXBD-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.76
Rot. Bonds4

About 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366077) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366077
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCN1CCN(CC(CN)C(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-2-15-3-5-16(6-4-15)8-9(7-14)10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyNKQQGYGUWSYXBD-UHFFFAOYSA-N
XLogP0.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperazin-1-yl]ethanol
CID 103366158
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-4-ol
CID 103366417
2-(4-ethylpiperazin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 43752641
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366406
2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol
CID 103366429
2-(trifluoromethyl)butan-1-amine
CID 10351789
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine
CID 117242326
3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine
CID 103366312
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366077) is 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is CCN1CCN(CC(CN)C(F)(F)F)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is NKQQGYGUWSYXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-2-15-3-5-16(6-4-15)8-9(7-14)10(11,12)13/h9H,2-8,14H2,1H3.
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).