[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone

C19H29NO5 — CID 110294879

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCCC(CO)C2)cc(OCC)c1OCC
InChIInChI=1S/C19H29NO5/c1-4-23-16-10-15(11-17(24-5-2)18(16)25-6-3)19(22)20-9-7-8-14(12-20)13-21/h10-11,14,21H,4-9,12-13H2,1-3H3
InChIKeyHEHRUKBTJZBGMJ-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.73
Rot. Bonds8

About [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone (PubChem CID 110294879) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
PubChem CID110294879
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCCC(CO)C2)cc(OCC)c1OCC
InChIInChI=1S/C19H29NO5/c1-4-23-16-10-15(11-17(24-5-2)18(16)25-6-3)19(22)20-9-7-8-14(12-20)13-21/h10-11,14,21H,4-9,12-13H2,1-3H3
InChIKeyHEHRUKBTJZBGMJ-UHFFFAOYSA-N
XLogP2.73
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
(3-bromo-2-ethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 146464564
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
[(3R)-3-aminopiperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 124623012
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
cyclohexyl-[4-(3,4,5-triethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544633
(3-chloro-4-ethoxy-5-methoxyphenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971306
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone (CID 110294879) is [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCCC(CO)C2)cc(OCC)c1OCC.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is HEHRUKBTJZBGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-4-23-16-10-15(11-17(24-5-2)18(16)25-6-3)19(22)20-9-7-8-14(12-20)13-21/h10-11,14,21H,4-9,12-13H2,1-3H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 351.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 110294879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).