[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone

C15H22N2O3 — CID 63615933

IUPAC[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCC(N(C)C)C2)c1O
InChIInChI=1S/C15H22N2O3/c1-16(2)11-6-5-9-17(10-11)15(19)12-7-4-8-13(20-3)14(12)18/h4,7-8,11,18H,5-6,9-10H2,1-3H3
InChIKeyKUYXOMBEDHHDCR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.57
Rot. Bonds3

About [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone

[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 63615933) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID63615933
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCC(N(C)C)C2)c1O
InChIInChI=1S/C15H22N2O3/c1-16(2)11-6-5-9-17(10-11)15(19)12-7-4-8-13(20-3)14(12)18/h4,7-8,11,18H,5-6,9-10H2,1-3H3
InChIKeyKUYXOMBEDHHDCR-UHFFFAOYSA-N
XLogP1.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
[2-(3-aminopropoxy)-3-methoxyphenyl]-[(3S)-3-(dimethylamino)piperidin-1-yl]methanone
CID 126433817
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 70705758
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 112576020
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 42940489
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine
CID 118769350

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone (CID 63615933) is [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCCC(N(C)C)C2)c1O.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is KUYXOMBEDHHDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(2)11-6-5-9-17(10-11)15(19)12-7-4-8-13(20-3)14(12)18/h4,7-8,11,18H,5-6,9-10H2,1-3H3.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 63615933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).