1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride

C13H16Cl2N2O — CID 44789174

IUPAC1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride
SMILESCl.O=C(CNC1=NCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O.ClH/c14-11-6-4-10(5-7-11)12(17)9-16-13-3-1-2-8-15-13;/h4-7H,1-3,8-9H2,(H,15,16);1H
InChIKeyLOFVMSNISXMQMO-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.12
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride

1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride (PubChem CID 44789174) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride
PubChem CID44789174
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride
SMILESCl.O=C(CNC1=NCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O.ClH/c14-11-6-4-10(5-7-11)12(17)9-16-13-3-1-2-8-15-13;/h4-7H,1-3,8-9H2,(H,15,16);1H
InChIKeyLOFVMSNISXMQMO-UHFFFAOYSA-N
XLogP3.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride (CID 44789174) is 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride is Cl.O=C(CNC1=NCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride?
The InChIKey is LOFVMSNISXMQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O.ClH/c14-11-6-4-10(5-7-11)12(17)9-16-13-3-1-2-8-15-13;/h4-7H,1-3,8-9H2,(H,15,16);1H.
What are the key properties of 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride?
1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride has a molecular weight of 287.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanone;hydrochloride is sourced from PubChem (CID 44789174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).