2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine

C16H24N2O — CID 104524590

IUPAC2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
SMILESCC1COc2ccccc2C1N1CCNCC1(C)C
InChIInChI=1S/C16H24N2O/c1-12-10-19-14-7-5-4-6-13(14)15(12)18-9-8-17-11-16(18,2)3/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyDKJDCQJSIBWFQC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.44
Rot. Bonds1

About 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine

2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine (PubChem CID 104524590) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
PubChem CID104524590
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
SMILESCC1COc2ccccc2C1N1CCNCC1(C)C
InChIInChI=1S/C16H24N2O/c1-12-10-19-14-7-5-4-6-13(14)15(12)18-9-8-17-11-16(18,2)3/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyDKJDCQJSIBWFQC-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine
CID 81141956
2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524836
N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
CID 104524593
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine
CID 104768693
[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
CID 104524556
2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine
CID 65461092
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524796
N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine
CID 104524583

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine (CID 104524590) is 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine is CC1COc2ccccc2C1N1CCNCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine?
The InChIKey is DKJDCQJSIBWFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-10-19-14-7-5-4-6-13(14)15(12)18-9-8-17-11-16(18,2)3/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine?
2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine has a molecular weight of 260.38 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine is sourced from PubChem (CID 104524590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).