1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

C14H26F3N3 — CID 114431092

IUPAC1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1CCNC(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3/c1-2-12-3-4-18-13(9-12)10-19-5-7-20(8-6-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyHEBBAVRLOIQWHN-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.94
Rot. Bonds4

About 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 114431092) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID114431092
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1CCNC(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3/c1-2-12-3-4-18-13(9-12)10-19-5-7-20(8-6-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyHEBBAVRLOIQWHN-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine
CID 114430708
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
1-(piperidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55139612
1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490142
2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine
CID 114431378
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine
CID 116627033
N-[(4-ethylpiperidin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114431236
1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114430782
1-[(4-ethylpiperidin-2-yl)methyl]-2,5-dimethylpiperidine
CID 114431246
4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 62968579
1-ethyl-N-[(4-ethylpiperidin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 114430948

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 114431092) is 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is CCC1CCNC(CN2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is HEBBAVRLOIQWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-2-12-3-4-18-13(9-12)10-19-5-7-20(8-6-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 293.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 114431092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).