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

C15H21Cl3N2O — CID 119516648

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-10(18)11-4-6-19(7-5-11)15(20)8-12-2-3-13(16)9-14(12)17;/h2-3,9-11H,4-8,18H2,1H3;1H
InChIKeyYSWORSPFDASWGD-UHFFFAOYSA-N
MW351.71 g/mol
LogP3.54
Rot. Bonds3

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

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride (PubChem CID 119516648) has the molecular formula C15H21Cl3N2O and a molecular weight of 351.71 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
PubChem CID119516648
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-10(18)11-4-6-19(7-5-11)15(20)8-12-2-3-13(16)9-14(12)17;/h2-3,9-11H,4-8,18H2,1H3;1H
InChIKeyYSWORSPFDASWGD-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 119520540
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 120818845
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119434426
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119661510
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chloro-4-fluorophenoxy)ethanone;hydrochloride
CID 119518644
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 124611116
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119661511
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride (CID 119516648) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride is CC(N)C1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride?
The InChIKey is YSWORSPFDASWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c1-10(18)11-4-6-19(7-5-11)15(20)8-12-2-3-13(16)9-14(12)17;/h2-3,9-11H,4-8,18H2,1H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 119516648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).