3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine

C15H30N2O — CID 65170076

IUPAC3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine
SMILESCCC(C)C1CN(CCCC2CCCO2)CCN1
InChIInChI=1S/C15H30N2O/c1-3-13(2)15-12-17(10-8-16-15)9-4-6-14-7-5-11-18-14/h13-16H,3-12H2,1-2H3
InChIKeyLKSAUQZOVRTSAB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine

3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine (PubChem CID 65170076) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine
PubChem CID65170076
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine
SMILESCCC(C)C1CN(CCCC2CCCO2)CCN1
InChIInChI=1S/C15H30N2O/c1-3-13(2)15-12-17(10-8-16-15)9-4-6-14-7-5-11-18-14/h13-16H,3-12H2,1-2H3
InChIKeyLKSAUQZOVRTSAB-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943276
3-butan-2-yl-1-(4-methylpentyl)piperazine
CID 64952597
3-butan-2-yl-1-(3-methylbutyl)piperazine
CID 64833096
5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235
3-butan-2-yl-1-(3-ethoxypropyl)-1,4-diazepane
CID 64944486
3-butan-2-yl-1-(2-butoxyethyl)-1,4-diazepane
CID 64858228
N-ethyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]ethanamine
CID 65159249
3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine
CID 64942559
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
CID 65161095
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
3-butan-2-yl-1-(4-methylsulfanylbutyl)-1,4-diazepane
CID 113488328
3-butan-2-yl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519153

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine?
The IUPAC name of 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine (CID 65170076) is 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine.
What is the SMILES notation for 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine?
The canonical SMILES for 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine is CCC(C)C1CN(CCCC2CCCO2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine?
The InChIKey is LKSAUQZOVRTSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-13(2)15-12-17(10-8-16-15)9-4-6-14-7-5-11-18-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine?
3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine is sourced from PubChem (CID 65170076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).