[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone

C15H20N2O2 — CID 124556470

IUPAC[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)[C@@H]1CCOc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-11-10-16-7-8-17(11)15(18)13-6-9-19-14-5-3-2-4-12(13)14/h2-5,11,13,16H,6-10H2,1H3/t11-,13+/m0/s1
InChIKeyDGIVSORBBMSFHR-WCQYABFASA-N
MW260.34 g/mol
LogP1.37
Rot. Bonds1

About [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone

[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone (PubChem CID 124556470) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
PubChem CID124556470
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CNCCN1C(=O)[C@@H]1CCOc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-11-10-16-7-8-17(11)15(18)13-6-9-19-14-5-3-2-4-12(13)14/h2-5,11,13,16H,6-10H2,1H3/t11-,13+/m0/s1
InChIKeyDGIVSORBBMSFHR-WCQYABFASA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 63710482
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
CID 110647806
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63709189
[2-(aminomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709950
2,3-dihydro-1-benzofuran-2-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705558
methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
CID 63184336
3,4-dihydro-2H-chromen-4-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 86951232
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 124606874
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 71639484

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone (CID 124556470) is [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone is C[C@H]1CNCCN1C(=O)[C@@H]1CCOc2ccccc21.
What is the InChIKey of [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone?
The InChIKey is DGIVSORBBMSFHR-WCQYABFASA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-10-16-7-8-17(11)15(18)13-6-9-19-14-5-3-2-4-12(13)14/h2-5,11,13,16H,6-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone?
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124556470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).