[5-(azocan-1-ylmethyl)furan-2-yl]methanol

C13H21NO2 — CID 115879764

IUPAC[5-(azocan-1-ylmethyl)furan-2-yl]methanol
SMILESOCc1ccc(CN2CCCCCCC2)o1
InChIInChI=1S/C13H21NO2/c15-11-13-7-6-12(16-13)10-14-8-4-2-1-3-5-9-14/h6-7,15H,1-5,8-11H2
InChIKeyGHBCMIXNWBPBIH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.54
Rot. Bonds3

About [5-(azocan-1-ylmethyl)furan-2-yl]methanol

[5-(azocan-1-ylmethyl)furan-2-yl]methanol (PubChem CID 115879764) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [5-(azocan-1-ylmethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(azocan-1-ylmethyl)furan-2-yl]methanol
PubChem CID115879764
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[5-(azocan-1-ylmethyl)furan-2-yl]methanol
SMILESOCc1ccc(CN2CCCCCCC2)o1
InChIInChI=1S/C13H21NO2/c15-11-13-7-6-12(16-13)10-14-8-4-2-1-3-5-9-14/h6-7,15H,1-5,8-11H2
InChIKeyGHBCMIXNWBPBIH-UHFFFAOYSA-N
XLogP2.54
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-yl]methanol
CID 112548808
5-(pyrrolidin-1-ylmethyl)furan-2-amine
CID 83619164
[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
CID 56917105
[5-[(piperidin-1-ylamino)methyl]furan-2-yl]methanol
CID 83007473
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45227276
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol
CID 115882999
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882863

Frequently Asked Questions

What is the IUPAC name of [5-(azocan-1-ylmethyl)furan-2-yl]methanol?
The IUPAC name of [5-(azocan-1-ylmethyl)furan-2-yl]methanol (CID 115879764) is [5-(azocan-1-ylmethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(azocan-1-ylmethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(azocan-1-ylmethyl)furan-2-yl]methanol is OCc1ccc(CN2CCCCCCC2)o1.
What is the InChIKey of [5-(azocan-1-ylmethyl)furan-2-yl]methanol?
The InChIKey is GHBCMIXNWBPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-11-13-7-6-12(16-13)10-14-8-4-2-1-3-5-9-14/h6-7,15H,1-5,8-11H2.
What are the key properties of [5-(azocan-1-ylmethyl)furan-2-yl]methanol?
[5-(azocan-1-ylmethyl)furan-2-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azocan-1-ylmethyl)furan-2-yl]methanol is sourced from PubChem (CID 115879764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).