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

C11H20N2O — CID 130659101

IUPAC1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine
SMILESCC1CN(CC2CCC=CO2)CCN1
InChIInChI=1S/C11H20N2O/c1-10-8-13(6-5-12-10)9-11-4-2-3-7-14-11/h3,7,10-12H,2,4-6,8-9H2,1H3
InChIKeyJNARNUXQFZOWAP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.97
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine (PubChem CID 130659101) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine
PubChem CID130659101
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine
SMILESCC1CN(CC2CCC=CO2)CCN1
InChIInChI=1S/C11H20N2O/c1-10-8-13(6-5-12-10)9-11-4-2-3-7-14-11/h3,7,10-12H,2,4-6,8-9H2,1H3
InChIKeyJNARNUXQFZOWAP-UHFFFAOYSA-N
XLogP0.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine (CID 130659101) is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine is CC1CN(CC2CCC=CO2)CCN1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine?
The InChIKey is JNARNUXQFZOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10-8-13(6-5-12-10)9-11-4-2-3-7-14-11/h3,7,10-12H,2,4-6,8-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine?
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methylpiperazine has a molecular weight of 196.29 g/mol, XLogP of 0.97, 2 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-pyran-2-ylmethyl)-3-methylpiperazine is sourced from PubChem (CID 130659101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).