1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine

C15H22N2O — CID 117368565

IUPAC1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine
SMILESCC1CCc2cccc(CN3CCNCC3)c2O1
InChIInChI=1S/C15H22N2O/c1-12-5-6-13-3-2-4-14(15(13)18-12)11-17-9-7-16-8-10-17/h2-4,12,16H,5-11H2,1H3
InChIKeyVDUPBHXPLJCZKH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.81
Rot. Bonds2

About 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine

1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine (PubChem CID 117368565) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine
PubChem CID117368565
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine
SMILESCC1CCc2cccc(CN3CCNCC3)c2O1
InChIInChI=1S/C15H22N2O/c1-12-5-6-13-3-2-4-14(15(13)18-12)11-17-9-7-16-8-10-17/h2-4,12,16H,5-11H2,1H3
InChIKeyVDUPBHXPLJCZKH-UHFFFAOYSA-N
XLogP1.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine
CID 117366081
1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine
CID 117420850
2-hydroxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;dihydrochloride
CID 141435745
2-methyl-7-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117203919
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
CID 117405682
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
7-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117420237
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 54945544
2-methyl-4-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 82510160

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine?
The IUPAC name of 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine (CID 117368565) is 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine?
The canonical SMILES for 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine is CC1CCc2cccc(CN3CCNCC3)c2O1.
What is the InChIKey of 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine?
The InChIKey is VDUPBHXPLJCZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-6-13-3-2-4-14(15(13)18-12)11-17-9-7-16-8-10-17/h2-4,12,16H,5-11H2,1H3.
What are the key properties of 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine?
1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine has a molecular weight of 246.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine is sourced from PubChem (CID 117368565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).