(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C14H20N2O3 — CID 107728799

IUPAC(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-14(15-2)5-7-16(8-6-14)13(19)10-3-4-11(17)12(18)9-10/h3-4,9,15,17-18H,5-8H2,1-2H3
InChIKeyDUWCDTRKOGWLKY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds2

About (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 107728799) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID107728799
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-14(15-2)5-7-16(8-6-14)13(19)10-3-4-11(17)12(18)9-10/h3-4,9,15,17-18H,5-8H2,1-2H3
InChIKeyDUWCDTRKOGWLKY-UHFFFAOYSA-N
XLogP1.31
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
(3,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103956121
(4-fluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304379
(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304375
(3,4-dihydroxyphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107728739
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 107728799) is (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)c2ccc(O)c(O)c2)CC1.
What is the InChIKey of (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DUWCDTRKOGWLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(15-2)5-7-16(8-6-14)13(19)10-3-4-11(17)12(18)9-10/h3-4,9,15,17-18H,5-8H2,1-2H3.
What are the key properties of (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107728799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).