3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride

C14H20ClN2O- — CID 21231581

IUPAC3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
SMILESCN1CCN(CCC(=O)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C14H20N2O.ClH/c1-15-9-11-16(12-10-15)8-7-14(17)13-5-3-2-4-6-13;/h2-6H,7-12H2,1H3;1H/p-1
InChIKeyNNWGBBQKIUPGAI-UHFFFAOYSA-M
MW267.78 g/mol
LogP-1.49
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride

3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride (PubChem CID 21231581) has the molecular formula C14H20ClN2O- and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
PubChem CID21231581
Molecular FormulaC14H20ClN2O-
Molecular Weight267.78 g/mol
Exact Mass267.13
IUPAC Name3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
SMILESCN1CCN(CCC(=O)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C14H20N2O.ClH/c1-15-9-11-16(12-10-15)8-7-14(17)13-5-3-2-4-6-13;/h2-6H,7-12H2,1H3;1H/p-1
InChIKeyNNWGBBQKIUPGAI-UHFFFAOYSA-M
XLogP-1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62611633
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
3-(1,1-dioxo-1,4-thiazepan-4-yl)-1-phenylpropan-1-one
CID 113354769
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
2-methyl-5-[3-(4-methylpiperazin-1-yl)propanoyl]benzoic acid
CID 82052169
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
CID 166604154
benzoic acid;1,4-dimethylpiperazine
CID 166460840
1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 15870243

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride (CID 21231581) is 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride is CN1CCN(CCC(=O)c2ccccc2)CC1.[Cl-].
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride?
The InChIKey is NNWGBBQKIUPGAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20N2O.ClH/c1-15-9-11-16(12-10-15)8-7-14(17)13-5-3-2-4-6-13;/h2-6H,7-12H2,1H3;1H/p-1.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride?
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride has a molecular weight of 267.78 g/mol, XLogP of -1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride is sourced from PubChem (CID 21231581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).