[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone

C16H23ClN2O — CID 103352294

IUPAC[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
SMILESCCC1CCN(C(=O)c2cccc(C)c2Cl)C(CN)C1
InChIInChI=1S/C16H23ClN2O/c1-3-12-7-8-19(13(9-12)10-18)16(20)14-6-4-5-11(2)15(14)17/h4-6,12-13H,3,7-10,18H2,1-2H3
InChIKeyHHPDXVUBOSVSEI-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.24
Rot. Bonds3

About [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone (PubChem CID 103352294) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
PubChem CID103352294
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
SMILESCCC1CCN(C(=O)c2cccc(C)c2Cl)C(CN)C1
InChIInChI=1S/C16H23ClN2O/c1-3-12-7-8-19(13(9-12)10-18)16(20)14-6-4-5-11(2)15(14)17/h4-6,12-13H,3,7-10,18H2,1-2H3
InChIKeyHHPDXVUBOSVSEI-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 103352346
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 103352121
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956337
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 103352393
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 107963758
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 103352292
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106855238
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 103352115
1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427256
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(4-bromo-2-fluorophenyl)methanone
CID 103352234
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103352408
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 103352351

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone (CID 103352294) is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone is CCC1CCN(C(=O)c2cccc(C)c2Cl)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone?
The InChIKey is HHPDXVUBOSVSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-12-7-8-19(13(9-12)10-18)16(20)14-6-4-5-11(2)15(14)17/h4-6,12-13H,3,7-10,18H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone?
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone has a molecular weight of 294.83 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 103352294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).