(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C16H23NO4 — CID 60957769

IUPAC(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CCC(CO)CC2)ccc1OC
InChIInChI=1S/C16H23NO4/c1-3-21-15-10-13(4-5-14(15)20-2)16(19)17-8-6-12(11-18)7-9-17/h4-5,10,12,18H,3,6-9,11H2,1-2H3
InChIKeyQJNVGCABKJXECG-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.94
Rot. Bonds5

About (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 60957769) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID60957769
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CCC(CO)CC2)ccc1OC
InChIInChI=1S/C16H23NO4/c1-3-21-15-10-13(4-5-14(15)20-2)16(19)17-8-6-12(11-18)7-9-17/h4-5,10,12,18H,3,6-9,11H2,1-2H3
InChIKeyQJNVGCABKJXECG-UHFFFAOYSA-N
XLogP1.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 60957769) is (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is CCOc1cc(C(=O)N2CCC(CO)CC2)ccc1OC.
What is the InChIKey of (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is QJNVGCABKJXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-21-15-10-13(4-5-14(15)20-2)16(19)17-8-6-12(11-18)7-9-17/h4-5,10,12,18H,3,6-9,11H2,1-2H3.
What are the key properties of (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 293.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60957769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).