[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol

C13H20N2O2 — CID 112548808

IUPAC[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCN(C3CC3)CC2)o1
InChIInChI=1S/C13H20N2O2/c16-10-13-4-3-12(17-13)9-14-5-7-15(8-6-14)11-1-2-11/h3-4,11,16H,1-2,5-10H2
InChIKeyZIHFNGGGBXOKTD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.05
Rot. Bonds4

About [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol

[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol (PubChem CID 112548808) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol
PubChem CID112548808
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCN(C3CC3)CC2)o1
InChIInChI=1S/C13H20N2O2/c16-10-13-4-3-12(17-13)9-14-5-7-15(8-6-14)11-1-2-11/h3-4,11,16H,1-2,5-10H2
InChIKeyZIHFNGGGBXOKTD-UHFFFAOYSA-N
XLogP1.05
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 63577895
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol
CID 115882999
ethyl 4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45250188
[5-[[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methyl]furan-2-yl]methanol
CID 50966552
[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
CID 56917105
1-benzyl-4-cyclopropylpiperazine
CID 69195043
3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 61441416
[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882863
(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99930669
1-[[5-(aminomethyl)furan-2-yl]methyl]piperidin-4-ol
CID 82508099

Frequently Asked Questions

What is the IUPAC name of [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol (CID 112548808) is [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol is OCc1ccc(CN2CCN(C3CC3)CC2)o1.
What is the InChIKey of [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol?
The InChIKey is ZIHFNGGGBXOKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-10-13-4-3-12(17-13)9-14-5-7-15(8-6-14)11-1-2-11/h3-4,11,16H,1-2,5-10H2.
What are the key properties of [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol?
[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 112548808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).