3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine

C11H22N6 — CID 107055316

IUPAC3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine
SMILESCC(C)CC1CN(Cc2nnn(C)n2)CCN1
InChIInChI=1S/C11H22N6/c1-9(2)6-10-7-17(5-4-12-10)8-11-13-15-16(3)14-11/h9-10,12H,4-8H2,1-3H3
InChIKeyCCCCVDIVHWXGQF-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.03
Rot. Bonds4

About 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine

3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine (PubChem CID 107055316) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine
PubChem CID107055316
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine
SMILESCC(C)CC1CN(Cc2nnn(C)n2)CCN1
InChIInChI=1S/C11H22N6/c1-9(2)6-10-7-17(5-4-12-10)8-11-13-15-16(3)14-11/h9-10,12H,4-8H2,1-3H3
InChIKeyCCCCVDIVHWXGQF-UHFFFAOYSA-N
XLogP0.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
CID 64834432
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
CID 80695147
2-[3-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112546379
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 103016164
1-hexyl-3-(2-methylpropyl)piperazine
CID 64834623
1-[(2-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine
CID 64834033
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82907814

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine (CID 107055316) is 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine is CC(C)CC1CN(Cc2nnn(C)n2)CCN1.
What is the InChIKey of 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine?
The InChIKey is CCCCVDIVHWXGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-9(2)6-10-7-17(5-4-12-10)8-11-13-15-16(3)14-11/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine?
3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine has a molecular weight of 238.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 107055316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).