4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride

C17H25Cl3N2O — CID 119545173

IUPAC4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C17H24Cl2N2O.ClH/c1-20-12-14-7-9-21(10-8-14)17(22)4-2-3-13-5-6-15(18)16(19)11-13;/h5-6,11,14,20H,2-4,7-10,12H2,1H3;1H
InChIKeyJHPGTRDNUNMTJU-UHFFFAOYSA-N
MW379.76 g/mol
LogP4.20
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride

4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119545173) has the molecular formula C17H25Cl3N2O and a molecular weight of 379.76 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119545173
Molecular FormulaC17H25Cl3N2O
Molecular Weight379.76 g/mol
Exact Mass378.10
IUPAC Name4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCNCC1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C17H24Cl2N2O.ClH/c1-20-12-14-7-9-21(10-8-14)17(22)4-2-3-13-5-6-15(18)16(19)11-13;/h5-6,11,14,20H,2-4,7-10,12H2,1H3;1H
InChIKeyJHPGTRDNUNMTJU-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride with MolForge

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Related Compounds

4-(3,4-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119397212
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
6-(4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119544131
1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
CID 119379855
3-(3-fluoro-4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119543300
3-(4-tert-butylphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543706
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
4-(3,4-difluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119396922
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119647608
2-(2,5-dichlorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119542676
4-(1,3-benzothiazol-2-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119546602

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride (CID 119545173) is 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride is CNCC1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is JHPGTRDNUNMTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O.ClH/c1-20-12-14-7-9-21(10-8-14)17(22)4-2-3-13-5-6-15(18)16(19)11-13;/h5-6,11,14,20H,2-4,7-10,12H2,1H3;1H.
What are the key properties of 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 379.76 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119545173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).