2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine

C15H22N2O — CID 116928055

IUPAC2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
SMILESCN1CCNCC1Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H22N2O/c1-17-7-6-16-11-14(17)10-12-4-5-15-13(9-12)3-2-8-18-15/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3
InChIKeyGSZUUPWWZDGMPO-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.46
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine

2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine (PubChem CID 116928055) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
PubChem CID116928055
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
SMILESCN1CCNCC1Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C15H22N2O/c1-17-7-6-16-11-14(17)10-12-4-5-15-13(9-12)3-2-8-18-15/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3
InChIKeyGSZUUPWWZDGMPO-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
CID 117040712
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
CID 82086895
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
CID 116996446
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
1-(3,4-dihydro-2H-chromen-6-yl)piperazine
CID 15485010
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
1-(1,4-diazepan-1-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 96669750

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine (CID 116928055) is 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine is CN1CCNCC1Cc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine?
The InChIKey is GSZUUPWWZDGMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-7-6-16-11-14(17)10-12-4-5-15-13(9-12)3-2-8-18-15/h4-5,9,14,16H,2-3,6-8,10-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine?
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine has a molecular weight of 246.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine is sourced from PubChem (CID 116928055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).