3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine

C12H21N3O — CID 22689734

IUPAC3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(Cc2ccco2)CC1
InChIInChI=1S/C12H21N3O/c13-4-2-5-14-6-8-15(9-7-14)11-12-3-1-10-16-12/h1,3,10H,2,4-9,11,13H2
InChIKeyCPRIOZSEOGZVEW-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.75
Rot. Bonds5

About 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine

3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine (PubChem CID 22689734) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
PubChem CID22689734
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(Cc2ccco2)CC1
InChIInChI=1S/C12H21N3O/c13-4-2-5-14-6-8-15(9-7-14)11-12-3-1-10-16-12/h1,3,10H,2,4-9,11,13H2
InChIKeyCPRIOZSEOGZVEW-UHFFFAOYSA-N
XLogP0.75
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 740969
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855936
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
CID 19626878
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
CID 764594
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine (CID 22689734) is 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(Cc2ccco2)CC1.
What is the InChIKey of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is CPRIOZSEOGZVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-4-2-5-14-6-8-15(9-7-14)11-12-3-1-10-16-12/h1,3,10H,2,4-9,11,13H2.
What are the key properties of 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 22689734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).