3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine

C13H23N3O — CID 54855936

IUPAC3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
SMILESCc1ccc(CN2CCN(CCCN)CC2)o1
InChIInChI=1S/C13H23N3O/c1-12-3-4-13(17-12)11-16-9-7-15(8-10-16)6-2-5-14/h3-4H,2,5-11,14H2,1H3
InChIKeyADMYGNSKNRZYCH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.05
Rot. Bonds5

About 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine

3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine (PubChem CID 54855936) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
PubChem CID54855936
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
SMILESCc1ccc(CN2CCN(CCCN)CC2)o1
InChIInChI=1S/C13H23N3O/c1-12-3-4-13(17-12)11-16-9-7-15(8-10-16)6-2-5-14/h3-4H,2,5-11,14H2,1H3
InChIKeyADMYGNSKNRZYCH-UHFFFAOYSA-N
XLogP1.05
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 22689734
[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251796
[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
CID 104695286
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 3717638
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
1-(4-chlorophenyl)-4-[2-(5-methylfuran-2-yl)ethyl]piperazine
CID 22762607
1-[4-(5-methylfuran-2-yl)butyl]piperazine
CID 116928635
(2S)-2-methyl-1,4-bis[(5-methylfuran-2-yl)methyl]piperazine
CID 3246663
1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183067
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine (CID 54855936) is 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine is Cc1ccc(CN2CCN(CCCN)CC2)o1.
What is the InChIKey of 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is ADMYGNSKNRZYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-3-4-13(17-12)11-16-9-7-15(8-10-16)6-2-5-14/h3-4H,2,5-11,14H2,1H3.
What are the key properties of 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine?
3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 54855936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).