(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone

C21H25NO3 — CID 53037966

IUPAC(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-24-20-10-6-5-9-19(20)21(23)22-14-11-17(12-15-22)13-16-25-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
InChIKeyQEBBOOKUBYMWKX-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.02
Rot. Bonds6

About (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone

(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (PubChem CID 53037966) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
PubChem CID53037966
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-24-20-10-6-5-9-19(20)21(23)22-14-11-17(12-15-22)13-16-25-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
InChIKeyQEBBOOKUBYMWKX-UHFFFAOYSA-N
XLogP4.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 108533628
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)piperidine;2-(2-methoxyphenyl)-1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 162167070
(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150687
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (CID 53037966) is (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The InChIKey is QEBBOOKUBYMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-20-10-6-5-9-19(20)21(23)22-14-11-17(12-15-22)13-16-25-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53037966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).