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

C21H25NO2 — CID 24720426

IUPAC(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c1-24-20-10-6-5-9-19(20)21(23)22-15-13-18(14-16-22)12-11-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyAEXTZNUETOLKDB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.18
Rot. Bonds5

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

(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 24720426) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID24720426
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c1-24-20-10-6-5-9-19(20)21(23)22-15-13-18(14-16-22)12-11-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyAEXTZNUETOLKDB-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 46086708
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(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
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 24720426) is (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is AEXTZNUETOLKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-24-20-10-6-5-9-19(20)21(23)22-15-13-18(14-16-22)12-11-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24720426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).