(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H23NO4 — CID 62355921

IUPAC(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCCC(CCO)C2)c1
InChIInChI=1S/C16H23NO4/c1-20-13-5-6-15(21-2)14(10-13)16(19)17-8-3-4-12(11-17)7-9-18/h5-6,10,12,18H,3-4,7-9,11H2,1-2H3
InChIKeyHWVFSALHMXKRLF-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.94
Rot. Bonds5

About (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62355921) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62355921
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCCC(CCO)C2)c1
InChIInChI=1S/C16H23NO4/c1-20-13-5-6-15(21-2)14(10-13)16(19)17-8-3-4-12(11-17)7-9-18/h5-6,10,12,18H,3-4,7-9,11H2,1-2H3
InChIKeyHWVFSALHMXKRLF-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

(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 120727504
[3-(chloromethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63392981
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 119464934
3-[(3S)-1-(2,5-dimethoxybenzoyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 25453434
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 115869602
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
(5-amino-2-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796669
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-methoxy-5-nitrophenyl)methanone
CID 115746486

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62355921) is (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is COc1ccc(OC)c(C(=O)N2CCCC(CCO)C2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is HWVFSALHMXKRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-13-5-6-15(21-2)14(10-13)16(19)17-8-3-4-12(11-17)7-9-18/h5-6,10,12,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)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 (2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62355921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).