(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

C14H20N2O3 — CID 107704932

IUPAC(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H20N2O3/c1-15-9-11-4-2-3-5-16(11)14(19)10-6-12(17)8-13(18)7-10/h6-8,11,15,17-18H,2-5,9H2,1H3
InChIKeyKEZLLBVWFZTPPC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds3

About (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 107704932) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID107704932
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H20N2O3/c1-15-9-11-4-2-3-5-16(11)14(19)10-6-12(17)8-13(18)7-10/h6-8,11,15,17-18H,2-5,9H2,1H3
InChIKeyKEZLLBVWFZTPPC-UHFFFAOYSA-N
XLogP1.31
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
(3-chloro-4-iodophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 103209404
(3,5-dihydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107703913
(3-bromo-5-fluorophenyl)-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 129380585
[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808516
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
(4,5-dibromothiophen-2-yl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 80537519

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 107704932) is (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCCN1C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is KEZLLBVWFZTPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-9-11-4-2-3-5-16(11)14(19)10-6-12(17)8-13(18)7-10/h6-8,11,15,17-18H,2-5,9H2,1H3.
What are the key properties of (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107704932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).