5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine

C12H23F3N2 — CID 64860416

IUPAC5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC1(CC)CN(CCC(F)(F)F)C(C)CN1
InChIInChI=1S/C12H23F3N2/c1-4-11(5-2)9-17(10(3)8-16-11)7-6-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyOMGARSGHXNGQRQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.79
Rot. Bonds4

About 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine

5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64860416) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64860416
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC1(CC)CN(CCC(F)(F)F)C(C)CN1
InChIInChI=1S/C12H23F3N2/c1-4-11(5-2)9-17(10(3)8-16-11)7-6-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyOMGARSGHXNGQRQ-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64833235
2,2-Dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 54595820
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
Diethyl carbanyl piperazine
CID 18770859
1-Methyl-4-(trifluoromethyl)piperidin-3-amine
CID 20763641
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 21030134
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]propan-2-amine
CID 23518732
2,2-difluoro-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 53873123
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55219725
(2R,5S)-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 57519198
N-tert-butyl-2-ethyl-4,4-difluoropiperidin-3-amine
CID 57752961
3-(Difluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886940

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64860416) is 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine is CCC1(CC)CN(CCC(F)(F)F)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is OMGARSGHXNGQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-4-11(5-2)9-17(10(3)8-16-11)7-6-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine?
5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 252.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64860416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).