1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride

C15H21Cl3N2O — CID 119520540

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-10(18)11-5-7-19(8-6-11)15(20)9-12-13(16)3-2-4-14(12)17;/h2-4,10-11H,5-9,18H2,1H3;1H
InChIKeyFFRWIVFRJJRHNM-UHFFFAOYSA-N
MW351.71 g/mol
LogP3.54
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride (PubChem CID 119520540) 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-(2,6-dichlorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
PubChem CID119520540
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-10(18)11-5-7-19(8-6-11)15(20)9-12-13(16)3-2-4-14(12)17;/h2-4,10-11H,5-9,18H2,1H3;1H
InChIKeyFFRWIVFRJJRHNM-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

2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid
CID 146102267
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119516648
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 106838886
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride
CID 119518980
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838218
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119517535
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119520913

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride (CID 119520540) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride is CC(N)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride?
The InChIKey is FFRWIVFRJJRHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c1-10(18)11-5-7-19(8-6-11)15(20)9-12-13(16)3-2-4-14(12)17;/h2-4,10-11H,5-9,18H2,1H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-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-(2,6-dichlorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 119520540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).