(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone

C15H21NO2 — CID 82552052

IUPAC(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
SMILESCCc1cc(OC)ccc1C(=O)C1CCCNC1
InChIInChI=1S/C15H21NO2/c1-3-11-9-13(18-2)6-7-14(11)15(17)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyMUFHEMSZHLHZOU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.44
Rot. Bonds4

About (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone

(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone (PubChem CID 82552052) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
PubChem CID82552052
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
SMILESCCc1cc(OC)ccc1C(=O)C1CCCNC1
InChIInChI=1S/C15H21NO2/c1-3-11-9-13(18-2)6-7-14(11)15(17)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyMUFHEMSZHLHZOU-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230012
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
cyclopropyl-(4-ethoxy-2-ethylphenyl)methanone
CID 82267347
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
CID 82550498

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone?
The IUPAC name of (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone (CID 82552052) is (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone is CCc1cc(OC)ccc1C(=O)C1CCCNC1.
What is the InChIKey of (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone?
The InChIKey is MUFHEMSZHLHZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-11-9-13(18-2)6-7-14(11)15(17)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3.
What are the key properties of (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone?
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 82552052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).