1-(furan-3-yl)-2-(2-methylpropyl)piperazine

C12H20N2O — CID 59674821

IUPAC1-(furan-3-yl)-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1c1ccoc1
InChIInChI=1S/C12H20N2O/c1-10(2)7-12-8-13-4-5-14(12)11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3
InChIKeyKQALYUJKASNJPR-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.10
Rot. Bonds3

About 1-(furan-3-yl)-2-(2-methylpropyl)piperazine

1-(furan-3-yl)-2-(2-methylpropyl)piperazine (PubChem CID 59674821) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(2-methylpropyl)piperazine
PubChem CID59674821
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(furan-3-yl)-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1c1ccoc1
InChIInChI=1S/C12H20N2O/c1-10(2)7-12-8-13-4-5-14(12)11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3
InChIKeyKQALYUJKASNJPR-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Furan-3-yl)morpholine
CID 12009355
4,4-Difluoro-1-(furan-3-yl)piperidine
CID 175988490
N-butylfuran-3-amine
CID 12009357
1-(Furan-3-yl)-3-(methylamino)azepan-2-one
CID 20589723
1-(Furan-3-yl)-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 20589724
1-(Furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one
CID 20589725
1-(Furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20589726
1-(Furan-3-yl)-5-methyl-3-(methylamino)azepan-2-one
CID 20589727
1-(Furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20589728
1-(Furan-3-yl)-6-methyl-3-(methylamino)azepan-2-one
CID 20589729
1-(Furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 20589730
1-(Furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one
CID 20589731

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-(furan-3-yl)-2-(2-methylpropyl)piperazine (CID 59674821) is 1-(furan-3-yl)-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(furan-3-yl)-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(furan-3-yl)-2-(2-methylpropyl)piperazine is CC(C)CC1CNCCN1c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-(2-methylpropyl)piperazine?
The InChIKey is KQALYUJKASNJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)7-12-8-13-4-5-14(12)11-3-6-15-9-11/h3,6,9-10,12-13H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-2-(2-methylpropyl)piperazine?
1-(furan-3-yl)-2-(2-methylpropyl)piperazine has a molecular weight of 208.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 59674821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).