[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol

C13H21NO2 — CID 115879487

IUPAC[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
SMILESCc1cc(CN2CCCC(CO)C2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-10-6-13(11(2)16-10)8-14-5-3-4-12(7-14)9-15/h6,12,15H,3-5,7-9H2,1-2H3
InChIKeyVTDFQTAYRPADPB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.10
Rot. Bonds3

About [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol

[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol (PubChem CID 115879487) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
PubChem CID115879487
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
SMILESCc1cc(CN2CCCC(CO)C2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-10-6-13(11(2)16-10)8-14-5-3-4-12(7-14)9-15/h6,12,15H,3-5,7-9H2,1-2H3
InChIKeyVTDFQTAYRPADPB-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95144268
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 78721457
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylthiophene-2-carbohydrazide
CID 80734400
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol (CID 115879487) is [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol is Cc1cc(CN2CCCC(CO)C2)c(C)o1.
What is the InChIKey of [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is VTDFQTAYRPADPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-6-13(11(2)16-10)8-14-5-3-4-12(7-14)9-15/h6,12,15H,3-5,7-9H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol?
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 115879487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).