(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone

C15H21NO2 — CID 82553697

IUPAC(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
SMILESCCOc1ccc(C(=O)C2CCCNC2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-3-18-13-6-7-14(11(2)9-13)15(17)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyUOADEAHCTVWIPN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds4

About (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone

(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone (PubChem CID 82553697) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
PubChem CID82553697
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
SMILESCCOc1ccc(C(=O)C2CCCNC2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-3-18-13-6-7-14(11(2)9-13)15(17)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyUOADEAHCTVWIPN-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
cyclopropyl-(4-ethoxy-2-ethylphenyl)methanone
CID 82267347
cyclohexyl-(4-ethoxy-2-hydroxyphenyl)methanone
CID 12660809
(2,5-dibromo-4-methylphenyl)-piperidin-3-ylmethanone
CID 81473911
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
(4-hexoxyphenyl)-piperidin-3-ylmethanone
CID 82550171
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone?
The IUPAC name of (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone (CID 82553697) is (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone is CCOc1ccc(C(=O)C2CCCNC2)c(C)c1.
What is the InChIKey of (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone?
The InChIKey is UOADEAHCTVWIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-13-6-7-14(11(2)9-13)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 (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone?
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 82553697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).