4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one

C11H19ClN2O — CID 63308048

IUPAC4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCCl)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H19ClN2O/c12-5-1-2-11(15)14-8-6-13(7-9-14)10-3-4-10/h10H,1-9H2
InChIKeyBKTYUVDMMMVVPY-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.31
Rot. Bonds4

About 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one

4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one (PubChem CID 63308048) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one
PubChem CID63308048
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCCl)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H19ClN2O/c12-5-1-2-11(15)14-8-6-13(7-9-14)10-3-4-10/h10H,1-9H2
InChIKeyBKTYUVDMMMVVPY-UHFFFAOYSA-N
XLogP1.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclopropylpiperazin-1-yl)-5-hydroxypentan-1-one
CID 79199162
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119887218
4-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887452
4-chloro-1-(4-propanoyl-1,4-diazepan-1-yl)butan-1-one
CID 63308674
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
1-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-4-chlorobutan-1-one
CID 108568029
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
5-oxo-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pentanoic acid
CID 54916584
1-[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]-4-chlorobutan-1-one
CID 165439499
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one (CID 63308048) is 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one is O=C(CCCCl)N1CCN(C2CC2)CC1.
What is the InChIKey of 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one?
The InChIKey is BKTYUVDMMMVVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c12-5-1-2-11(15)14-8-6-13(7-9-14)10-3-4-10/h10H,1-9H2.
What are the key properties of 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one?
4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one has a molecular weight of 230.74 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 63308048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).