2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine

C14H25N5 — CID 107055845

IUPAC2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCCC1(C)CN(Cc2cn(C)nn2)C(C2CC2)CN1
InChIInChI=1S/C14H25N5/c1-4-14(2)10-19(9-12-8-18(3)17-16-12)13(7-15-14)11-5-6-11/h8,11,13,15H,4-7,9-10H2,1-3H3
InChIKeyMGDPDOIJUQCGRR-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.17
Rot. Bonds4

About 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine

2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (PubChem CID 107055845) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
PubChem CID107055845
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCCC1(C)CN(Cc2cn(C)nn2)C(C2CC2)CN1
InChIInChI=1S/C14H25N5/c1-4-14(2)10-19(9-12-8-18(3)17-16-12)13(7-15-14)11-5-6-11/h8,11,13,15H,4-7,9-10H2,1-3H3
InChIKeyMGDPDOIJUQCGRR-UHFFFAOYSA-N
XLogP1.17
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837
2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
CID 64847175
2-cyclopropyl-1-(3-ethoxypropyl)-5-ethyl-5-methylpiperazine
CID 65177810
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113712
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861983
2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64847174
3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055867
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056009
2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871948
2-cyclohexyl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64849473

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (CID 107055845) is 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is CCC1(C)CN(Cc2cn(C)nn2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is MGDPDOIJUQCGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-14(2)10-19(9-12-8-18(3)17-16-12)13(7-15-14)11-5-6-11/h8,11,13,15H,4-7,9-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine has a molecular weight of 263.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 107055845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).