1-(oxolan-3-yl)-3-propan-2-ylpiperazine

C11H22N2O — CID 64833613

IUPAC1-(oxolan-3-yl)-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C2CCOC2)CCN1
InChIInChI=1S/C11H22N2O/c1-9(2)11-7-13(5-4-12-11)10-3-6-14-8-10/h9-12H,3-8H2,1-2H3
InChIKeyVTKVOXRCQTUFRS-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About 1-(oxolan-3-yl)-3-propan-2-ylpiperazine

1-(oxolan-3-yl)-3-propan-2-ylpiperazine (PubChem CID 64833613) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-propan-2-ylpiperazine
PubChem CID64833613
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(oxolan-3-yl)-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(C2CCOC2)CCN1
InChIInChI=1S/C11H22N2O/c1-9(2)11-7-13(5-4-12-11)10-3-6-14-8-10/h9-12H,3-8H2,1-2H3
InChIKeyVTKVOXRCQTUFRS-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-1-(oxolan-3-yl)-1,4-diazepane
CID 64858241
4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine
CID 83879978
1-(3-methoxycyclohexyl)-3-propan-2-ylpiperazine
CID 64833612
7-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 170106719
1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine
CID 80715611
1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
CID 63846947
1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114129866
3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine
CID 114109431
3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 178050456
4-methyl-1-(oxolan-3-yl)-1,5-diazocane
CID 80716222
1-(4-tert-butylcyclohexyl)-3-propan-2-yl-1,4-diazepane
CID 82249117
(3S)-1-(oxolan-3-yl)pyrrolidin-3-ol
CID 115277616

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(oxolan-3-yl)-3-propan-2-ylpiperazine (CID 64833613) is 1-(oxolan-3-yl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(oxolan-3-yl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(oxolan-3-yl)-3-propan-2-ylpiperazine is CC(C)C1CN(C2CCOC2)CCN1.
What is the InChIKey of 1-(oxolan-3-yl)-3-propan-2-ylpiperazine?
The InChIKey is VTKVOXRCQTUFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)11-7-13(5-4-12-11)10-3-6-14-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-3-propan-2-ylpiperazine?
1-(oxolan-3-yl)-3-propan-2-ylpiperazine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 64833613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).