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

C14H20N2O — CID 141009186

IUPAC1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine
SMILESCN1CCN(C2CCc3ccccc3O2)CC1
InChIInChI=1S/C14H20N2O/c1-15-8-10-16(11-9-15)14-7-6-12-4-2-3-5-13(12)17-14/h2-5,14H,6-11H2,1H3
InChIKeyLJQLSVSWWRSPOO-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.59
Rot. Bonds1

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

1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine (PubChem CID 141009186) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine
PubChem CID141009186
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine
SMILESCN1CCN(C2CCc3ccccc3O2)CC1
InChIInChI=1S/C14H20N2O/c1-15-8-10-16(11-9-15)14-7-6-12-4-2-3-5-13(12)17-14/h2-5,14H,6-11H2,1H3
InChIKeyLJQLSVSWWRSPOO-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
CID 22593685
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
CID 70116238
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
3-(4-methyl-1,4-diazepan-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103313979
(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
CID 102531823
1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
CID 68706500
1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
CID 22573243
1-[(2S,3S)-2-methyl-3,4-dihydro-2H-chromen-3-yl]piperidine
CID 97302014
2,3,4,5-tetrahydro-1-benzoxepin-2-ol
CID 118271774
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
CID 140665140

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine (CID 141009186) is 1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine is CN1CCN(C2CCc3ccccc3O2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine?
The InChIKey is LJQLSVSWWRSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-8-10-16(11-9-15)14-7-6-12-4-2-3-5-13(12)17-14/h2-5,14H,6-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine?
1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine has a molecular weight of 232.33 g/mol, XLogP of 1.59, 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-2-yl)-4-methylpiperazine is sourced from PubChem (CID 141009186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).