2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride

C18H28Cl2N2O — CID 119561279

IUPAC2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCC(CC)(C(=O)N1CCC(NC)CC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H27ClN2O.ClH/c1-4-18(5-2,14-6-8-15(19)9-7-14)17(22)21-12-10-16(20-3)11-13-21;/h6-9,16,20H,4-5,10-13H2,1-3H3;1H
InChIKeyZMEZIWOSEFAWNS-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.03
Rot. Bonds5

About 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride

2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119561279) has the molecular formula C18H28Cl2N2O and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119561279
Molecular FormulaC18H28Cl2N2O
Molecular Weight359.34 g/mol
Exact Mass358.16
IUPAC Name2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCC(CC)(C(=O)N1CCC(NC)CC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H27ClN2O.ClH/c1-4-18(5-2,14-6-8-15(19)9-7-14)17(22)21-12-10-16(20-3)11-13-21;/h6-9,16,20H,4-5,10-13H2,1-3H3;1H
InChIKeyZMEZIWOSEFAWNS-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-ethylbutan-1-one;hydrochloride
CID 119636544
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(4-chlorophenyl)-2-ethylbutan-1-one;hydrochloride
CID 119662657
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
2-ethyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119539919
N-[3-(4-chlorophenyl)pentan-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405560
4-(4-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119560247
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119562178
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride (CID 119561279) is 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride is CCC(CC)(C(=O)N1CCC(NC)CC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is ZMEZIWOSEFAWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O.ClH/c1-4-18(5-2,14-6-8-15(19)9-7-14)17(22)21-12-10-16(20-3)11-13-21;/h6-9,16,20H,4-5,10-13H2,1-3H3;1H.
What are the key properties of 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 359.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-ethyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119561279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).