2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone

C16H19NO2 — CID 22578416

IUPAC2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H19NO2/c1-12-6-4-5-9-17(12)16(18)14-10-13-7-2-3-8-15(13)19-11-14/h2-3,7-8,10,12H,4-6,9,11H2,1H3
InChIKeyYYSKKCFMBRYBLO-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.86
Rot. Bonds1

About 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone

2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone (PubChem CID 22578416) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone
PubChem CID22578416
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H19NO2/c1-12-6-4-5-9-17(12)16(18)14-10-13-7-2-3-8-15(13)19-11-14/h2-3,7-8,10,12H,4-6,9,11H2,1H3
InChIKeyYYSKKCFMBRYBLO-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110887040
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
2H-chromen-3-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 9291396
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 46641376
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124974332

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone (CID 22578416) is 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YYSKKCFMBRYBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-6-4-5-9-17(12)16(18)14-10-13-7-2-3-8-15(13)19-11-14/h2-3,7-8,10,12H,4-6,9,11H2,1H3.
What are the key properties of 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone?
2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone has a molecular weight of 257.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 22578416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).