1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine

C18H28N2O — CID 104772013

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CC2CCOc3ccccc32)CCN1
InChIInChI=1S/C18H28N2O/c1-14(2)11-16-13-20(9-8-19-16)12-15-7-10-21-18-6-4-3-5-17(15)18/h3-6,14-16,19H,7-13H2,1-2H3
InChIKeyONAQWPSUEKIROP-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.87
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine (PubChem CID 104772013) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine
PubChem CID104772013
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CC2CCOc3ccccc32)CCN1
InChIInChI=1S/C18H28N2O/c1-14(2)11-16-13-20(9-8-19-16)12-15-7-10-21-18-6-4-3-5-17(15)18/h3-6,14-16,19H,7-13H2,1-2H3
InChIKeyONAQWPSUEKIROP-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylpiperidine
CID 114682381
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
3-(bromomethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771438
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 114802617
1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82907814
3-(2-bromoethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771448
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-3-carboxylate
CID 115880145
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
CID 104768932
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine
CID 104768693
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine
CID 104772091

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine (CID 104772013) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine is CC(C)CC1CN(CC2CCOc3ccccc32)CCN1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine?
The InChIKey is ONAQWPSUEKIROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)11-16-13-20(9-8-19-16)12-15-7-10-21-18-6-4-3-5-17(15)18/h3-6,14-16,19H,7-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine has a molecular weight of 288.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 104772013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).