(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone

C16H24N2O — CID 63210086

IUPAC(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NC)c(C)c1
InChIInChI=1S/C16H24N2O/c1-4-14-7-5-6-10-18(14)16(19)13-8-9-15(17-3)12(2)11-13/h8-9,11,14,17H,4-7,10H2,1-3H3
InChIKeyJKCWZQYLCWXYAT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.44
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone

(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone (PubChem CID 63210086) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
PubChem CID63210086
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NC)c(C)c1
InChIInChI=1S/C16H24N2O/c1-4-14-7-5-6-10-18(14)16(19)13-8-9-15(17-3)12(2)11-13/h8-9,11,14,17H,4-7,10H2,1-3H3
InChIKeyJKCWZQYLCWXYAT-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[4-(ethylamino)-3-methylphenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637923
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3-bromo-4-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 79458333
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109048897
3-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109056450
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 63187071
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056461

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone (CID 63210086) is (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone is CCC1CCCCN1C(=O)c1ccc(NC)c(C)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The InChIKey is JKCWZQYLCWXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-14-7-5-6-10-18(14)16(19)13-8-9-15(17-3)12(2)11-13/h8-9,11,14,17H,4-7,10H2,1-3H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone has a molecular weight of 260.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone is sourced from PubChem (CID 63210086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).