4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one

C15H18N2O3 — CID 102985143

IUPAC4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one
SMILESN[C@@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1
InChIInChI=1S/C15H18N2O3/c16-11-2-1-5-17(9-11)8-10-6-15(19)20-14-7-12(18)3-4-13(10)14/h3-4,6-7,11,18H,1-2,5,8-9,16H2/t11-/m1/s1
InChIKeyXRYPTYVXRLSPGU-LLVKDONJSA-N
MW274.32 g/mol
LogP1.42
Rot. Bonds2

About 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one

4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one (PubChem CID 102985143) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one
PubChem CID102985143
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one
SMILESN[C@@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1
InChIInChI=1S/C15H18N2O3/c16-11-2-1-5-17(9-11)8-10-6-15(19)20-14-7-12(18)3-4-13(10)14/h3-4,6-7,11,18H,1-2,5,8-9,16H2/t11-/m1/s1
InChIKeyXRYPTYVXRLSPGU-LLVKDONJSA-N
XLogP1.42
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 174862975
4-[(4,4-difluoro-3,5-dimethylpiperidin-1-yl)methyl]-7-hydroxychromen-2-one
CID 139020957
7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one
CID 62547237
4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 27215307
ethyl (3R)-1-[(7-methyl-2-oxochromen-4-yl)methyl]piperidine-3-carboxylate
CID 2468520
4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-bromochromen-2-one
CID 62061488
4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one
CID 139011442
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
(1S,9R)-11-[(7-hydroxy-2-oxochromen-4-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 71754530
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 78721457
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
4-[(3-aminopyrrolidin-1-yl)methyl]benzene-1,3-diol
CID 62069032

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one?
The IUPAC name of 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one (CID 102985143) is 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one?
The canonical SMILES for 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one is N[C@@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1.
What is the InChIKey of 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one?
The InChIKey is XRYPTYVXRLSPGU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-11-2-1-5-17(9-11)8-10-6-15(19)20-14-7-12(18)3-4-13(10)14/h3-4,6-7,11,18H,1-2,5,8-9,16H2/t11-/m1/s1.
What are the key properties of 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one?
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 102985143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).