1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine

C16H32N2O — CID 129289125

IUPAC1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine
SMILESCC(C)C(C)C(C)(C)N1CCN(C2(C)COC2)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)14(3)15(4,5)17-7-9-18(10-8-17)16(6)11-19-12-16/h13-14H,7-12H2,1-6H3
InChIKeyQNMAQOVJBWPJNE-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.46
Rot. Bonds4

About 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine

1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine (PubChem CID 129289125) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine
PubChem CID129289125
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine
SMILESCC(C)C(C)C(C)(C)N1CCN(C2(C)COC2)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)14(3)15(4,5)17-7-9-18(10-8-17)16(6)11-19-12-16/h13-14H,7-12H2,1-6H3
InChIKeyQNMAQOVJBWPJNE-UHFFFAOYSA-N
XLogP2.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine?
The IUPAC name of 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine (CID 129289125) is 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine.
What is the SMILES notation for 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine?
The canonical SMILES for 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine is CC(C)C(C)C(C)(C)N1CCN(C2(C)COC2)CC1.
What is the InChIKey of 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine?
The InChIKey is QNMAQOVJBWPJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)14(3)15(4,5)17-7-9-18(10-8-17)16(6)11-19-12-16/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine?
1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine is sourced from PubChem (CID 129289125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).