2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one

C19H29NO4 — CID 110436653

IUPAC2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2CCCCC2CCO)cc1OC
InChIInChI=1S/C19H29NO4/c1-19(2,14-8-9-16(23-3)17(13-14)24-4)18(22)20-11-6-5-7-15(20)10-12-21/h8-9,13,15,21H,5-7,10-12H2,1-4H3
InChIKeyBPHSYADBFRPUGT-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.74
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one

2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 110436653) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID110436653
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2CCCCC2CCO)cc1OC
InChIInChI=1S/C19H29NO4/c1-19(2,14-8-9-16(23-3)17(13-14)24-4)18(22)20-11-6-5-7-15(20)10-12-21/h8-9,13,15,21H,5-7,10-12H2,1-4H3
InChIKeyBPHSYADBFRPUGT-UHFFFAOYSA-N
XLogP2.74
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 95158836
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43970748
(2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 97283598
N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 119480066
[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone
CID 110436785
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 110907856
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-2-methylpropan-1-one;hydrochloride
CID 119593723
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
CID 42096484
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-piperidin-4-ylethanone
CID 124687445

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 110436653) is 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one is COc1ccc(C(C)(C)C(=O)N2CCCCC2CCO)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is BPHSYADBFRPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-19(2,14-8-9-16(23-3)17(13-14)24-4)18(22)20-11-6-5-7-15(20)10-12-21/h8-9,13,15,21H,5-7,10-12H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 335.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110436653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).