3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride

C19H30Cl2N2O — CID 119645185

IUPAC3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCCNCC1CCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C19H29ClN2O.ClH/c1-4-21-14-15-8-10-22(11-9-15)18(23)19(2,3)13-16-6-5-7-17(20)12-16;/h5-7,12,15,21H,4,8-11,13-14H2,1-3H3;1H
InChIKeyKOXLZHKKTOJXPA-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.18
Rot. Bonds6

About 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride

3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 119645185) has the molecular formula C19H30Cl2N2O and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID119645185
Molecular FormulaC19H30Cl2N2O
Molecular Weight373.37 g/mol
Exact Mass372.17
IUPAC Name3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCCNCC1CCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C19H29ClN2O.ClH/c1-4-21-14-15-8-10-22(11-9-15)18(23)19(2,3)13-16-6-5-7-17(20)12-16;/h5-7,12,15,21H,4,8-11,13-14H2,1-3H3;1H
InChIKeyKOXLZHKKTOJXPA-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126801904
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one
CID 120818145
3-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2,2-dimethylpropan-1-one
CID 119635982
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645711
tert-butyl 4-[[(3-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71630261
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119644243

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride (CID 119645185) is 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride is CCNCC1CCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is KOXLZHKKTOJXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O.ClH/c1-4-21-14-15-8-10-22(11-9-15)18(23)19(2,3)13-16-6-5-7-17(20)12-16;/h5-7,12,15,21H,4,8-11,13-14H2,1-3H3;1H.
What are the key properties of 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 373.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride is sourced from PubChem (CID 119645185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).