(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

C14H20N2O3 — CID 103890281

IUPAC(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2c(O)cccc2O)CC1
InChIInChI=1S/C14H20N2O3/c1-15(2)10-6-8-16(9-7-10)14(19)13-11(17)4-3-5-12(13)18/h3-5,10,17-18H,6-9H2,1-2H3
InChIKeySJDYCJFSQKRXLC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds2

About (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 103890281) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID103890281
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2c(O)cccc2O)CC1
InChIInChI=1S/C14H20N2O3/c1-15(2)10-6-8-16(9-7-10)14(19)13-11(17)4-3-5-12(13)18/h3-5,10,17-18H,6-9H2,1-2H3
InChIKeySJDYCJFSQKRXLC-UHFFFAOYSA-N
XLogP1.26
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107691006
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691311
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
[4-(dimethylamino)piperidin-1-yl]-(2-hydrazinylphenyl)methanone
CID 62243252
[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
CID 62660653
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 103890281) is (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2c(O)cccc2O)CC1.
What is the InChIKey of (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is SJDYCJFSQKRXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)10-6-8-16(9-7-10)14(19)13-11(17)4-3-5-12(13)18/h3-5,10,17-18H,6-9H2,1-2H3.
What are the key properties of (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 103890281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).