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

C15H27N5 — CID 107056103

IUPAC2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C15H27N5/c1-4-11(2)15-7-16-14(12-5-6-12)10-20(15)9-13-8-19(3)18-17-13/h8,11-12,14-16H,4-7,9-10H2,1-3H3
InChIKeyBKUKLWBLSHSDOU-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.41
Rot. Bonds5

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

2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (PubChem CID 107056103) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
PubChem CID107056103
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C15H27N5/c1-4-11(2)15-7-16-14(12-5-6-12)10-20(15)9-13-8-19(3)18-17-13/h8,11-12,14-16H,4-7,9-10H2,1-3H3
InChIKeyBKUKLWBLSHSDOU-UHFFFAOYSA-N
XLogP1.41
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butan-2-yl-5-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862422
2-butan-2-yl-5-cyclopropyl-1-propan-2-ylpiperazine
CID 64860502
5-cyclopropyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82870666
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
CID 64862227
2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
CID 64862427
5-butan-2-yl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055788
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
2-butan-2-yl-5-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013068
2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine
CID 106458816
2-butan-2-yl-5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64861848
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-butan-2-yl-5-cyclopropylpiperazine
CID 79559332

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine (CID 107056103) is 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is CCC(C)C1CNC(C2CC2)CN1Cc1cn(C)nn1.
What is the InChIKey of 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is BKUKLWBLSHSDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-11(2)15-7-16-14(12-5-6-12)10-20(15)9-13-8-19(3)18-17-13/h8,11-12,14-16H,4-7,9-10H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine?
2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine has a molecular weight of 277.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 107056103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).