1-[(3R)-3-butylpiperazin-1-yl]ethanone

C10H20N2O — CID 11275438

IUPAC1-[(3R)-3-butylpiperazin-1-yl]ethanone
SMILESCCCC[C@@H]1CN(C(C)=O)CCN1
InChIInChI=1S/C10H20N2O/c1-3-4-5-10-8-12(9(2)13)7-6-11-10/h10-11H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyWHSWVEKZQDMRJB-SNVBAGLBSA-N
MW184.28 g/mol
LogP1.00
Rot. Bonds3

About 1-[(3R)-3-butylpiperazin-1-yl]ethanone

1-[(3R)-3-butylpiperazin-1-yl]ethanone (PubChem CID 11275438) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(3R)-3-butylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-butylpiperazin-1-yl]ethanone
PubChem CID11275438
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(3R)-3-butylpiperazin-1-yl]ethanone
SMILESCCCC[C@@H]1CN(C(C)=O)CCN1
InChIInChI=1S/C10H20N2O/c1-3-4-5-10-8-12(9(2)13)7-6-11-10/h10-11H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyWHSWVEKZQDMRJB-SNVBAGLBSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-butylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-butylpiperazin-1-yl]ethanone (CID 11275438) is 1-[(3R)-3-butylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-butylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-butylpiperazin-1-yl]ethanone is CCCC[C@@H]1CN(C(C)=O)CCN1.
What is the InChIKey of 1-[(3R)-3-butylpiperazin-1-yl]ethanone?
The InChIKey is WHSWVEKZQDMRJB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-10-8-12(9(2)13)7-6-11-10/h10-11H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-butylpiperazin-1-yl]ethanone?
1-[(3R)-3-butylpiperazin-1-yl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-butylpiperazin-1-yl]ethanone is sourced from PubChem (CID 11275438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).