1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone

C16H23ClN2O — CID 103352351

IUPAC1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone
SMILESCCC1CCN(C(=O)Cc2ccc(Cl)cc2)C(CN)C1
InChIInChI=1S/C16H23ClN2O/c1-2-12-7-8-19(15(9-12)11-18)16(20)10-13-3-5-14(17)6-4-13/h3-6,12,15H,2,7-11,18H2,1H3
InChIKeyHMVXSXINTQTQQQ-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone (PubChem CID 103352351) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone
PubChem CID103352351
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone
SMILESCCC1CCN(C(=O)Cc2ccc(Cl)cc2)C(CN)C1
InChIInChI=1S/C16H23ClN2O/c1-2-12-7-8-19(15(9-12)11-18)16(20)10-13-3-5-14(17)6-4-13/h3-6,12,15H,2,7-11,18H2,1H3
InChIKeyHMVXSXINTQTQQQ-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 103352115
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 103352393
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212829
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 103352346
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
CID 103352294
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 103352121
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351643
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 103352144
1-[2-(4-chlorophenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone (CID 103352351) is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone is CCC1CCN(C(=O)Cc2ccc(Cl)cc2)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone?
The InChIKey is HMVXSXINTQTQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-12-7-8-19(15(9-12)11-18)16(20)10-13-3-5-14(17)6-4-13/h3-6,12,15H,2,7-11,18H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone?
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone has a molecular weight of 294.83 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 103352351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).