(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

C16H23NO5 — CID 71851779

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)(O)CC2)c(OC)c1OC
InChIInChI=1S/C16H23NO5/c1-16(19)7-9-17(10-8-16)15(18)11-5-6-12(20-2)14(22-4)13(11)21-3/h5-6,19H,7-10H2,1-4H3
InChIKeyLAMBKAYCNGPHQO-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.70
Rot. Bonds4

About (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 71851779) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID71851779
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)(O)CC2)c(OC)c1OC
InChIInChI=1S/C16H23NO5/c1-16(19)7-9-17(10-8-16)15(18)11-5-6-12(20-2)14(22-4)13(11)21-3/h5-6,19H,7-10H2,1-4H3
InChIKeyLAMBKAYCNGPHQO-UHFFFAOYSA-N
XLogP1.70
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(2,3,4-trimethoxyphenyl)methanone
CID 90510678
1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 126814847
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
(2S)-2-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119342570
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 80701880
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
4-(methylamino)-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 119816831
(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 71851779) is (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(C)(O)CC2)c(OC)c1OC.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is LAMBKAYCNGPHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-16(19)7-9-17(10-8-16)15(18)11-5-6-12(20-2)14(22-4)13(11)21-3/h5-6,19H,7-10H2,1-4H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 309.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 71851779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).