4-(4-benzylpiperazin-1-yl)butan-2-one;ethane

C19H34N2O — CID 91431275

IUPAC4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
SMILESCC.CC.CC(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O.2C2H6/c1-14(18)7-8-16-9-11-17(12-10-16)13-15-5-3-2-4-6-15;2*1-2/h2-6H,7-13H2,1H3;2*1-2H3
InChIKeyQHGFCHWEHQKEGH-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.84
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane

4-(4-benzylpiperazin-1-yl)butan-2-one;ethane (PubChem CID 91431275) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
PubChem CID91431275
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
SMILESCC.CC.CC(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O.2C2H6/c1-14(18)7-8-16-9-11-17(12-10-16)13-15-5-3-2-4-6-15;2*1-2/h2-6H,7-13H2,1H3;2*1-2H3
InChIKeyQHGFCHWEHQKEGH-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-(4-benzylpiperazin-1-yl)propyl (Z)-3-aminobut-2-enoate
CID 102015940
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
1-benzyl-4-butylpiperazine;ethane
CID 90954358
3-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)propan-1-one;dihydrochloride
CID 10159552
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
1-benzyl-4-heptylpiperazine
CID 22088087
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane (CID 91431275) is 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane is CC.CC.CC(=O)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane?
The InChIKey is QHGFCHWEHQKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.2C2H6/c1-14(18)7-8-16-9-11-17(12-10-16)13-15-5-3-2-4-6-15;2*1-2/h2-6H,7-13H2,1H3;2*1-2H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane?
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane has a molecular weight of 306.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)butan-2-one;ethane is sourced from PubChem (CID 91431275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).