2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride

C14H20Cl2N2O — CID 119400424

IUPAC2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)(C(=O)N1CCNCC1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-14(2,11-4-3-5-12(15)10-11)13(18)17-8-6-16-7-9-17;/h3-5,10,16H,6-9H2,1-2H3;1H
InChIKeyXFTUXNMOLUYPSU-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.47
Rot. Bonds2

About 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride

2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 119400424) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID119400424
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)(C(=O)N1CCNCC1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-14(2,11-4-3-5-12(15)10-11)13(18)17-8-6-16-7-9-17;/h3-5,10,16H,6-9H2,1-2H3;1H
InChIKeyXFTUXNMOLUYPSU-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 119400424) is 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride is CC(C)(C(=O)N1CCNCC1)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is XFTUXNMOLUYPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-14(2,11-4-3-5-12(15)10-11)13(18)17-8-6-16-7-9-17;/h3-5,10,16H,6-9H2,1-2H3;1H.
What are the key properties of 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride?
2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 119400424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).