2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C14H19Cl3N2O — CID 119562540

IUPAC2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C14H18Cl2N2O.ClH/c1-17-11-4-6-18(7-5-11)14(19)9-10-2-3-12(15)13(16)8-10;/h2-3,8,11,17H,4-7,9H2,1H3;1H
InChIKeyQPYBFASNFMBWRI-UHFFFAOYSA-N
MW337.68 g/mol
LogP3.17
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119562540) has the molecular formula C14H19Cl3N2O and a molecular weight of 337.68 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119562540
Molecular FormulaC14H19Cl3N2O
Molecular Weight337.68 g/mol
Exact Mass336.06
IUPAC Name2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C14H18Cl2N2O.ClH/c1-17-11-4-6-18(7-5-11)14(19)9-10-2-3-12(15)13(16)8-10;/h2-3,8,11,17H,4-7,9H2,1H3;1H
InChIKeyQPYBFASNFMBWRI-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
2-(3-bromo-4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 176515965
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 170984520
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119562540) is 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is QPYBFASNFMBWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O.ClH/c1-17-11-4-6-18(7-5-11)14(19)9-10-2-3-12(15)13(16)8-10;/h2-3,8,11,17H,4-7,9H2,1H3;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 337.68 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119562540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).