(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

C16H24N2O2 — CID 63249422

IUPAC(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCCC1CNC
InChIInChI=1S/C16H24N2O2/c1-3-20-15-10-5-4-9-14(15)16(19)18-11-7-6-8-13(18)12-17-2/h4-5,9-10,13,17H,3,6-8,11-12H2,1-2H3
InChIKeyDTCRVNLIRHIFEX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds5

About (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63249422) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63249422
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCCC1CNC
InChIInChI=1S/C16H24N2O2/c1-3-20-15-10-5-4-9-14(15)16(19)18-11-7-6-8-13(18)12-17-2/h4-5,9-10,13,17H,3,6-8,11-12H2,1-2H3
InChIKeyDTCRVNLIRHIFEX-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
[2-(2-bromoethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80665458
(2-ethoxyphenyl)-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 95111716
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
[2-(3-bromopropyl)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80675629
(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107098111
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 105064068
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
(4-butoxy-3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650400

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 63249422) is (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCCCC1CNC.
What is the InChIKey of (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is DTCRVNLIRHIFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-10-5-4-9-14(15)16(19)18-11-7-6-8-13(18)12-17-2/h4-5,9-10,13,17H,3,6-8,11-12H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63249422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).