(4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone

C13H24N2O2 — CID 21061600

IUPAC(4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)15-8-6-14(7-9-15)12(16)11-5-4-10-17-11/h11H,4-10H2,1-3H3
InChIKeyMGOONDWSPWZQDJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone

(4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 21061600) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone
PubChem CID21061600
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)15-8-6-14(7-9-15)12(16)11-5-4-10-17-11/h11H,4-10H2,1-3H3
InChIKeyMGOONDWSPWZQDJ-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Tetrahydro-2-furoyl)piperazine
CID 2734641
1-[(Tetrahydro-2-furyl)carbonyl]piperidine
CID 3458768
1-Methyl-4-(oxolane-2-carbonyl)piperazine
CID 4285118
1-(2-Tetrahydrofuroyl)piperazine hydrobromide
CID 16217252
(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
CID 59965676
(2-Methylcyclopropyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51072672
(4-Methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone
CID 6468597
1-((Tetrahydrofuran-2-yl)carbonyl)piperazine, (2R)-
CID 7168208
1,4-Bis((tetrahydrofuran-2-yl)carbonyl)piperazine
CID 3620044
2,6-Dimethylmorpholin-4-yl oxolan-2-yl ketone
CID 2947441
N-cyclohexyl-N-ethyloxolan-2-ylcarboxamide
CID 2948559
N,N-di-sec-butyltetrahydro-2-furancarboxamide
CID 3282442

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone (CID 21061600) is (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone is CC(C)(C)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is MGOONDWSPWZQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)15-8-6-14(7-9-15)12(16)11-5-4-10-17-11/h11H,4-10H2,1-3H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone?
(4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 21061600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).