1-piperazin-1-ylbutan-1-one;hydrochloride

C8H17ClN2O — CID 67460380

IUPAC1-piperazin-1-ylbutan-1-one;hydrochloride
SMILESCCCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-2-3-8(11)10-6-4-9-5-7-10;/h9H,2-7H2,1H3;1H
InChIKeyUPYDQYPRICFSEH-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.64
Rot. Bonds2

About 1-piperazin-1-ylbutan-1-one;hydrochloride

1-piperazin-1-ylbutan-1-one;hydrochloride (PubChem CID 67460380) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-piperazin-1-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-ylbutan-1-one;hydrochloride
PubChem CID67460380
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-piperazin-1-ylbutan-1-one;hydrochloride
SMILESCCCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-2-3-8(11)10-6-4-9-5-7-10;/h9H,2-7H2,1H3;1H
InChIKeyUPYDQYPRICFSEH-UHFFFAOYSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
1-piperazin-1-ylpentadecan-1-one
CID 126705881
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
1-(1,2,5-dithiazepan-5-yl)butan-1-one
CID 131201188
N-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
1-(4-amino-4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 130718845
3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
CID 61003211

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-piperazin-1-ylbutan-1-one;hydrochloride (CID 67460380) is 1-piperazin-1-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-piperazin-1-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-piperazin-1-ylbutan-1-one;hydrochloride is CCCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-piperazin-1-ylbutan-1-one;hydrochloride?
The InChIKey is UPYDQYPRICFSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-2-3-8(11)10-6-4-9-5-7-10;/h9H,2-7H2,1H3;1H.
What are the key properties of 1-piperazin-1-ylbutan-1-one;hydrochloride?
1-piperazin-1-ylbutan-1-one;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 67460380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).