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

C14H18Cl2N2O — CID 119562541

IUPAC2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl2N2O/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
InChIKeyXMKWIRNZSMZQFU-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.75
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 119562541) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
PubChem CID119562541
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl2N2O/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
InChIKeyXMKWIRNZSMZQFU-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.75
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;hydrochloride
CID 119562540
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-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
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
2-(3,4-dichlorophenyl)-1-[(3R,5S)-3,5-dimethyl-1,4-diazepan-1-yl]ethanone
CID 143445652
2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 170984520

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone (CID 119562541) is 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone is CNC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is XMKWIRNZSMZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/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.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 301.22 g/mol, XLogP of 2.75, 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 is sourced from PubChem (CID 119562541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).