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

C16H29N5 — CID 107056009

IUPAC5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCC(C)CC1CNC(C)(C2CC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H29N5/c1-12(2)7-15-8-17-16(3,13-5-6-13)11-21(15)10-14-9-20(4)19-18-14/h9,12-13,15,17H,5-8,10-11H2,1-4H3
InChIKeyZHXJNTZJIYSNCI-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.80
Rot. Bonds5

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

5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine (PubChem CID 107056009) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine
PubChem CID107056009
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCC(C)CC1CNC(C)(C2CC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H29N5/c1-12(2)7-15-8-17-16(3,13-5-6-13)11-21(15)10-14-9-20(4)19-18-14/h9,12-13,15,17H,5-8,10-11H2,1-4H3
InChIKeyZHXJNTZJIYSNCI-UHFFFAOYSA-N
XLogP1.80
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine
CID 64877133
2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 107055514
5-cyclopropyl-1-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64876945
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64877308
1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 107898076
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
4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 107055925
2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64877873
2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055845
1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 104812551
4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107055928

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine (CID 107056009) is 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine is CC(C)CC1CNC(C)(C2CC2)CN1Cc1cn(C)nn1.
What is the InChIKey of 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is ZHXJNTZJIYSNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)7-15-8-17-16(3,13-5-6-13)11-21(15)10-14-9-20(4)19-18-14/h9,12-13,15,17H,5-8,10-11H2,1-4H3.
What are the key properties of 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine?
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine has a molecular weight of 291.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 107056009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).