1-(furan-3-yl)-2-methylpiperazine

C9H14N2O — CID 70574891

IUPAC1-(furan-3-yl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccoc1
InChIInChI=1S/C9H14N2O/c1-8-6-10-3-4-11(8)9-2-5-12-7-9/h2,5,7-8,10H,3-4,6H2,1H3
InChIKeyMDWHBQVTGKQRPL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.08
Rot. Bonds1

About 1-(furan-3-yl)-2-methylpiperazine

1-(furan-3-yl)-2-methylpiperazine (PubChem CID 70574891) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(furan-3-yl)-2-methylpiperazine
PubChem CID70574891
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(furan-3-yl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccoc1
InChIInChI=1S/C9H14N2O/c1-8-6-10-3-4-11(8)9-2-5-12-7-9/h2,5,7-8,10H,3-4,6H2,1H3
InChIKeyMDWHBQVTGKQRPL-UHFFFAOYSA-N
XLogP1.08
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetamidofuran
CID 521882
Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
3-Furylalanine
CID 22875442
3-Furylaminobutyric acid
CID 68798095
Furan-3-yl(trimethyl)azanium
CID 199991
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
4,4-Difluoro-1-(furan-3-yl)piperidine
CID 175988490
N-(furan-3-yl)pent-4-enamide
CID 11105709
N,N-diethylfuran-3-amine
CID 12009356
N-butylfuran-3-amine
CID 12009357

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-methylpiperazine?
The IUPAC name of 1-(furan-3-yl)-2-methylpiperazine (CID 70574891) is 1-(furan-3-yl)-2-methylpiperazine.
What is the SMILES notation for 1-(furan-3-yl)-2-methylpiperazine?
The canonical SMILES for 1-(furan-3-yl)-2-methylpiperazine is CC1CNCCN1c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-methylpiperazine?
The InChIKey is MDWHBQVTGKQRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-6-10-3-4-11(8)9-2-5-12-7-9/h2,5,7-8,10H,3-4,6H2,1H3.
What are the key properties of 1-(furan-3-yl)-2-methylpiperazine?
1-(furan-3-yl)-2-methylpiperazine has a molecular weight of 166.22 g/mol, XLogP of 1.08, 1 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-methylpiperazine is sourced from PubChem (CID 70574891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).