3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride

C14H23Cl2N3O — CID 122151289

IUPAC3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
SMILESCC1CNCCN1C(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11-10-16-7-8-17(11)14(18)9-13(15)12-5-3-2-4-6-12;;/h2-6,11,13,16H,7-10,15H2,1H3;2*1H
InChIKeyTUSMZGJMKPNETB-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.74
Rot. Bonds3

About 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride

3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride (PubChem CID 122151289) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
PubChem CID122151289
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
SMILESCC1CNCCN1C(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11-10-16-7-8-17(11)14(18)9-13(15)12-5-3-2-4-6-12;;/h2-6,11,13,16H,7-10,15H2,1H3;2*1H
InChIKeyTUSMZGJMKPNETB-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 128919979
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1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 124571039
1-(2-iodopiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 69269178
4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one
CID 119951226
(3S)-1-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124570764
3-amino-1-(2,3-dimethylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951701
3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951836
3-(4-fluorophenyl)sulfonyl-1-(2-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119470739
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625
3-amino-1-(2,6-dimethylazepan-1-yl)-3-phenylpropan-1-one
CID 119951712

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride (CID 122151289) is 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride is CC1CNCCN1C(=O)CC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride?
The InChIKey is TUSMZGJMKPNETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-11-10-16-7-8-17(11)14(18)9-13(15)12-5-3-2-4-6-12;;/h2-6,11,13,16H,7-10,15H2,1H3;2*1H.
What are the key properties of 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride?
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride is sourced from PubChem (CID 122151289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).