1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine

C14H20N2O — CID 68706500

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2COc3ccccc3C2)CC1
InChIInChI=1S/C14H20N2O/c1-15-6-8-16(9-7-15)13-10-12-4-2-3-5-14(12)17-11-13/h2-5,13H,6-11H2,1H3
InChIKeyXXEFIGMGXRUDNU-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.24
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine

1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine (PubChem CID 68706500) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
PubChem CID68706500
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2COc3ccccc3C2)CC1
InChIInChI=1S/C14H20N2O/c1-15-6-8-16(9-7-15)13-10-12-4-2-3-5-14(12)17-11-13/h2-5,13H,6-11H2,1H3
InChIKeyXXEFIGMGXRUDNU-UHFFFAOYSA-N
XLogP1.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
CID 56859547
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine
CID 92968612
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-(4-methoxyphenyl)piperazine
CID 92968617
1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine
CID 163236275
3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 23009488
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144
2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
CID 29256848
3-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one;hydrochloride
CID 86006334
1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine
CID 141009186
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide
CID 22580756

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine (CID 68706500) is 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine is CN1CCN(C2COc3ccccc3C2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine?
The InChIKey is XXEFIGMGXRUDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-6-8-16(9-7-15)13-10-12-4-2-3-5-14(12)17-11-13/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine?
1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine has a molecular weight of 232.33 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine is sourced from PubChem (CID 68706500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).