3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone

C16H21NO3 — CID 43421216

IUPAC3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1COc2ccccc2C1)N1CCCCC1CO
InChIInChI=1S/C16H21NO3/c18-10-14-6-3-4-8-17(14)16(19)13-9-12-5-1-2-7-15(12)20-11-13/h1-2,5,7,13-14,18H,3-4,6,8-11H2
InChIKeyYJYOKCVNABQTSD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.61
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone

3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43421216) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43421216
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1COc2ccccc2C1)N1CCCCC1CO
InChIInChI=1S/C16H21NO3/c18-10-14-6-3-4-8-17(14)16(19)13-9-12-5-1-2-7-15(12)20-11-13/h1-2,5,7,13-14,18H,3-4,6,8-11H2
InChIKeyYJYOKCVNABQTSD-UHFFFAOYSA-N
XLogP1.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-4-carboxylate
CID 16029544
3,4-dihydro-2H-chromen-3-yl-(4-methylpiperidin-1-yl)methanone
CID 16029546
N-(2-phenylethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
CID 16029574
2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide
CID 18914095
3-(Piperidine-1-carbonyl)-3,4-dihydro-2H-1-benzopyran-2-one
CID 205531
1-(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)piperidine-4-carboxamide
CID 16029283
N-[2-(4-Methylphenyl)ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
CID 16029576
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)butan-1-one
CID 71922617
N-benzyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 71942577
N-cyclopropyl-2-(1'-propanoylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)acetamide
CID 118738795
4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 118739687
2-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1-morpholin-4-ylethanone
CID 118741258

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43421216) is 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(C1COc2ccccc2C1)N1CCCCC1CO.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is YJYOKCVNABQTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-10-14-6-3-4-8-17(14)16(19)13-9-12-5-1-2-7-15(12)20-11-13/h1-2,5,7,13-14,18H,3-4,6,8-11H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone?
3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).