1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine

C14H24N2O — CID 64932402

IUPAC1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2ccco2)C(C)CN1
InChIInChI=1S/C14H24N2O/c1-11(2)7-13-9-16(12(3)8-15-13)10-14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyXBWWMPLGGKDQIG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.49
Rot. Bonds4

About 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine

1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64932402) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64932402
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2ccco2)C(C)CN1
InChIInChI=1S/C14H24N2O/c1-11(2)7-13-9-16(12(3)8-15-13)10-14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3
InChIKeyXBWWMPLGGKDQIG-UHFFFAOYSA-N
XLogP2.49
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine (CID 64932402) is 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine is CC(C)CC1CN(Cc2ccco2)C(C)CN1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is XBWWMPLGGKDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)7-13-9-16(12(3)8-15-13)10-14-5-4-6-17-14/h4-6,11-13,15H,7-10H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine?
1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 236.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64932402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).