(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone

C16H22N2O2 — CID 82247957

IUPAC(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16(15-7-4-10-20-15)18-9-8-17-12-14(18)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2
InChIKeyOEMXTCRQURBFIJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.21
Rot. Bonds3

About (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone

(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 82247957) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone
PubChem CID82247957
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16(15-7-4-10-20-15)18-9-8-17-12-14(18)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2
InChIKeyOEMXTCRQURBFIJ-UHFFFAOYSA-N
XLogP1.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone (CID 82247957) is (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCNCC1Cc1ccccc1.
What is the InChIKey of (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is OEMXTCRQURBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(15-7-4-10-20-15)18-9-8-17-12-14(18)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2.
What are the key properties of (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone?
(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 82247957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).