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

C15H21NO3 — CID 43421165

IUPAC(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCCC1CO
InChIInChI=1S/C15H21NO3/c1-2-19-14-9-4-3-8-13(14)15(18)16-10-6-5-7-12(16)11-17/h3-4,8-9,12,17H,2,5-7,10-11H2,1H3
InChIKeyWFCVTBOVJKGHSM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds4

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

(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43421165) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43421165
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCCC1CO
InChIInChI=1S/C15H21NO3/c1-2-19-14-9-4-3-8-13(14)15(18)16-10-6-5-7-12(16)11-17/h3-4,8-9,12,17H,2,5-7,10-11H2,1H3
InChIKeyWFCVTBOVJKGHSM-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromoethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80665458
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249422
(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
(2-ethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636551
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421333
1-(2-ethoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635347
methyl 2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]benzoate
CID 156874403
(2-ethylsulfonylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421223
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43421165) is (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCCCC1CO.
What is the InChIKey of (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is WFCVTBOVJKGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-14-9-4-3-8-13(14)15(18)16-10-6-5-7-12(16)11-17/h3-4,8-9,12,17H,2,5-7,10-11H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).