5-(piperazin-1-ylmethyl)furan-2-amine

C9H15N3O — CID 82503886

IUPAC5-(piperazin-1-ylmethyl)furan-2-amine
SMILESNc1ccc(CN2CCNCC2)o1
InChIInChI=1S/C9H15N3O/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7,10H2
InChIKeyREZUWKDUEHMRGU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.27
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)furan-2-amine

5-(piperazin-1-ylmethyl)furan-2-amine (PubChem CID 82503886) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)furan-2-amine.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)furan-2-amine
PubChem CID82503886
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(piperazin-1-ylmethyl)furan-2-amine
SMILESNc1ccc(CN2CCNCC2)o1
InChIInChI=1S/C9H15N3O/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7,10H2
InChIKeyREZUWKDUEHMRGU-UHFFFAOYSA-N
XLogP0.27
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyrrolidin-1-ylmethyl)furan-2-amine
CID 83619164
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-[(5-nitrofuran-2-yl)methyl]piperazine
CID 43143138
2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine
CID 131123786
[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine
CID 117179209
1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
CID 141351583
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
CID 56917105
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
CID 115004527
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727

Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)furan-2-amine?
The IUPAC name of 5-(piperazin-1-ylmethyl)furan-2-amine (CID 82503886) is 5-(piperazin-1-ylmethyl)furan-2-amine.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)furan-2-amine?
The canonical SMILES for 5-(piperazin-1-ylmethyl)furan-2-amine is Nc1ccc(CN2CCNCC2)o1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)furan-2-amine?
The InChIKey is REZUWKDUEHMRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7,10H2.
What are the key properties of 5-(piperazin-1-ylmethyl)furan-2-amine?
5-(piperazin-1-ylmethyl)furan-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)furan-2-amine is sourced from PubChem (CID 82503886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).