2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone

C17H22N2O2 — CID 119395350

IUPAC2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C17H22N2O2/c1-18-10-13-5-4-8-19(11-13)17(20)15-9-14-6-2-3-7-16(14)21-12-15/h2-3,6-7,9,13,18H,4-5,8,10-12H2,1H3
InChIKeyJAQFJGKCBABODJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.92
Rot. Bonds3

About 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone

2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119395350) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119395350
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C17H22N2O2/c1-18-10-13-5-4-8-19(11-13)17(20)15-9-14-6-2-3-7-16(14)21-12-15/h2-3,6-7,9,13,18H,4-5,8,10-12H2,1H3
InChIKeyJAQFJGKCBABODJ-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95276103
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204710
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119395350) is 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)C2=Cc3ccccc3OC2)C1.
What is the InChIKey of 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is JAQFJGKCBABODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-10-13-5-4-8-19(11-13)17(20)15-9-14-6-2-3-7-16(14)21-12-15/h2-3,6-7,9,13,18H,4-5,8,10-12H2,1H3.
What are the key properties of 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone?
2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 286.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119395350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).