3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride

C10H16Cl2N2O3 — CID 50988437

IUPAC3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1occc1CN1CCNCC1
InChIInChI=1S/C10H14N2O3.2ClH/c13-10(14)9-8(1-6-15-9)7-12-4-2-11-3-5-12;;/h1,6,11H,2-5,7H2,(H,13,14);2*1H
InChIKeyRUKLPZDLFIVLSX-UHFFFAOYSA-N
MW283.15 g/mol
LogP1.23
Rot. Bonds3

About 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride

3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride (PubChem CID 50988437) has the molecular formula C10H16Cl2N2O3 and a molecular weight of 283.15 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
PubChem CID50988437
Molecular FormulaC10H16Cl2N2O3
Molecular Weight283.15 g/mol
Exact Mass282.05
IUPAC Name3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1occc1CN1CCNCC1
InChIInChI=1S/C10H14N2O3.2ClH/c13-10(14)9-8(1-6-15-9)7-12-4-2-11-3-5-12;;/h1,6,11H,2-5,7H2,(H,13,14);2*1H
InChIKeyRUKLPZDLFIVLSX-UHFFFAOYSA-N
XLogP1.23
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153219
3-[(4-oxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61345549
3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 61441416
3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 102959446
3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103356684
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167982801
2-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 61397796
3-[[(3aR,9aS)-5,8-difluoro-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrol-2-yl]methyl]furan-2-carboxylic acid
CID 167963621
[2-(piperazin-1-ylmethyl)furan-3-yl]methanethiol
CID 82508549
4-(piperazin-1-ylmethyl)-1-benzofuran-7-ol
CID 96806763
3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
CID 63568851

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride?
The IUPAC name of 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride (CID 50988437) is 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1occc1CN1CCNCC1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride?
The InChIKey is RUKLPZDLFIVLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.2ClH/c13-10(14)9-8(1-6-15-9)7-12-4-2-11-3-5-12;;/h1,6,11H,2-5,7H2,(H,13,14);2*1H.
What are the key properties of 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride?
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride has a molecular weight of 283.15 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 50988437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).