1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine

C16H24N2O — CID 117405682

IUPAC1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
SMILESCC1CCc2ccc(CCN3CCNCC3)cc2O1
InChIInChI=1S/C16H24N2O/c1-13-2-4-15-5-3-14(12-16(15)19-13)6-9-18-10-7-17-8-11-18/h3,5,12-13,17H,2,4,6-11H2,1H3
InChIKeyWQUYBLPQAOAZNA-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine

1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine (PubChem CID 117405682) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
PubChem CID117405682
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
SMILESCC1CCc2ccc(CCN3CCNCC3)cc2O1
InChIInChI=1S/C16H24N2O/c1-13-2-4-15-5-3-14(12-16(15)19-13)6-9-18-10-7-17-8-11-18/h3,5,12-13,17H,2,4,6-11H2,1H3
InChIKeyWQUYBLPQAOAZNA-UHFFFAOYSA-N
XLogP1.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
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1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
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7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
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1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
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1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine (CID 117405682) is 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine is CC1CCc2ccc(CCN3CCNCC3)cc2O1.
What is the InChIKey of 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine?
The InChIKey is WQUYBLPQAOAZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-2-4-15-5-3-14(12-16(15)19-13)6-9-18-10-7-17-8-11-18/h3,5,12-13,17H,2,4,6-11H2,1H3.
What are the key properties of 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine?
1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine has a molecular weight of 260.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine is sourced from PubChem (CID 117405682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).