5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine

C14H27N5 — CID 107055837

IUPAC5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(Cc2cn(C)nn2)C(C(C)C)CN1
InChIInChI=1S/C14H27N5/c1-6-14(4)10-19(13(7-15-14)11(2)3)9-12-8-18(5)17-16-12/h8,11,13,15H,6-7,9-10H2,1-5H3
InChIKeyGNTGKPMSUOAAPS-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.41
Rot. Bonds4

About 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine (PubChem CID 107055837) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
PubChem CID107055837
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(Cc2cn(C)nn2)C(C(C)C)CN1
InChIInChI=1S/C14H27N5/c1-6-14(4)10-19(13(7-15-14)11(2)3)9-12-8-18(5)17-16-12/h8,11,13,15H,6-7,9-10H2,1-5H3
InChIKeyGNTGKPMSUOAAPS-UHFFFAOYSA-N
XLogP1.41
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82872161
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055835
2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055845
4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107055928
4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64940443
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine (CID 107055837) is 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine is CCC1(C)CN(Cc2cn(C)nn2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is GNTGKPMSUOAAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-14(4)10-19(13(7-15-14)11(2)3)9-12-8-18(5)17-16-12/h8,11,13,15H,6-7,9-10H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 265.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 107055837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).