(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone

C15H21NO2 — CID 42656402

IUPAC(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
SMILESCCOC1CCCN(C(=O)c2ccccc2C)C1
InChIInChI=1S/C15H21NO2/c1-3-18-13-8-6-10-16(11-13)15(17)14-9-5-4-7-12(14)2/h4-5,7,9,13H,3,6,8,10-11H2,1-2H3
InChIKeyPCYKPTDORAQGKY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone

(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone (PubChem CID 42656402) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
PubChem CID42656402
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
SMILESCCOC1CCCN(C(=O)c2ccccc2C)C1
InChIInChI=1S/C15H21NO2/c1-3-18-13-8-6-10-16(11-13)15(17)14-9-5-4-7-12(14)2/h4-5,7,9,13H,3,6,8,10-11H2,1-2H3
InChIKeyPCYKPTDORAQGKY-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone
CID 46028831
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
[(3S)-3-ethoxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 95582789
(3-chloro-2-nitrophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 79832674
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
(3-ethoxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 47736054
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone (CID 42656402) is (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone is CCOC1CCCN(C(=O)c2ccccc2C)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone?
The InChIKey is PCYKPTDORAQGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-13-8-6-10-16(11-13)15(17)14-9-5-4-7-12(14)2/h4-5,7,9,13H,3,6,8,10-11H2,1-2H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone?
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 42656402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).