4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol

C11H17NO2S — CID 81041028

IUPAC4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol
SMILESOC1(CSCc2ccco2)CCNCC1
InChIInChI=1S/C11H17NO2S/c13-11(3-5-12-6-4-11)9-15-8-10-2-1-7-14-10/h1-2,7,12-13H,3-6,8-9H2
InChIKeyXYRGRPYDPRNWPC-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.63
Rot. Bonds4

About 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol

4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol (PubChem CID 81041028) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol
PubChem CID81041028
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol
SMILESOC1(CSCc2ccco2)CCNCC1
InChIInChI=1S/C11H17NO2S/c13-11(3-5-12-6-4-11)9-15-8-10-2-1-7-14-10/h1-2,7,12-13H,3-6,8-9H2
InChIKeyXYRGRPYDPRNWPC-UHFFFAOYSA-N
XLogP1.63
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethyl)azepan-4-ol
CID 83685704
N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide
CID 72859219
4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
CID 71778043
4-(bromomethyl)-4-(furan-2-ylmethylsulfanylmethyl)oxane
CID 65004286
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
4-(1,3-oxazol-2-ylsulfanylmethyl)piperidin-4-ol
CID 106924555
1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 4074413
4-(furan-2-ylmethylsulfanyl)azepane
CID 126974894
1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one
CID 112780791
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
4-(furan-2-ylmethyl)piperidine
CID 83480581
N-(furan-2-ylmethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120647952

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol?
The IUPAC name of 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol (CID 81041028) is 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol is OC1(CSCc2ccco2)CCNCC1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol?
The InChIKey is XYRGRPYDPRNWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-11(3-5-12-6-4-11)9-15-8-10-2-1-7-14-10/h1-2,7,12-13H,3-6,8-9H2.
What are the key properties of 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol?
4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol has a molecular weight of 227.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol is sourced from PubChem (CID 81041028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).