5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine

C14H25F3N2 — CID 106211854

IUPAC5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCCC1(C)CN(C2(C(F)(F)F)CC2)C(C(C)C)CN1
InChIInChI=1S/C14H25F3N2/c1-5-12(4)9-19(11(8-18-12)10(2)3)13(6-7-13)14(15,16)17/h10-11,18H,5-9H2,1-4H3
InChIKeyLVMSGKBUCUZSJQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds3

About 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine

5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (PubChem CID 106211854) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
PubChem CID106211854
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCCC1(C)CN(C2(C(F)(F)F)CC2)C(C(C)C)CN1
InChIInChI=1S/C14H25F3N2/c1-5-12(4)9-19(11(8-18-12)10(2)3)13(6-7-13)14(15,16)17/h10-11,18H,5-9H2,1-4H3
InChIKeyLVMSGKBUCUZSJQ-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235
5-ethyl-5-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylpiperazine
CID 64933642
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5-tert-butyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211932
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 114188941
5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158814
2-butan-2-yl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64847164
5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64931976

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The IUPAC name of 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (CID 106211854) is 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.
What is the SMILES notation for 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The canonical SMILES for 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine is CCC1(C)CN(C2(C(F)(F)F)CC2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The InChIKey is LVMSGKBUCUZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-5-12(4)9-19(11(8-18-12)10(2)3)13(6-7-13)14(15,16)17/h10-11,18H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine is sourced from PubChem (CID 106211854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).