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

C14H20N2O3 — CID 114345040

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
SMILESNCCC1CCCCN1C(=O)c1cccc(O)c1O
InChIInChI=1S/C14H20N2O3/c15-8-7-10-4-1-2-9-16(10)14(19)11-5-3-6-12(17)13(11)18/h3,5-6,10,17-18H,1-2,4,7-9,15H2
InChIKeyYSUOOYREIWDHHS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.44
Rot. Bonds3

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

[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone (PubChem CID 114345040) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
PubChem CID114345040
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
SMILESNCCC1CCCCN1C(=O)c1cccc(O)c1O
InChIInChI=1S/C14H20N2O3/c15-8-7-10-4-1-2-9-16(10)14(19)11-5-3-6-12(17)13(11)18/h3,5-6,10,17-18H,1-2,4,7-9,15H2
InChIKeyYSUOOYREIWDHHS-UHFFFAOYSA-N
XLogP1.44
TPSA86.79 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 ≤ 51.44
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

[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956136
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 63755916
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114374400
6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 113322539
[2-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112057
[3-(2-aminoethyl)pyrrolidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114802128
1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114345186
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107726352

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone (CID 114345040) is [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone is NCCC1CCCCN1C(=O)c1cccc(O)c1O.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone?
The InChIKey is YSUOOYREIWDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-8-7-10-4-1-2-9-16(10)14(19)11-5-3-6-12(17)13(11)18/h3,5-6,10,17-18H,1-2,4,7-9,15H2.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone?
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone is sourced from PubChem (CID 114345040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).