1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol

C18H24N2O3 — CID 71972838

IUPAC1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol
SMILESOCc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1
InChIInChI=1S/C18H24N2O3/c21-13-17-6-5-16(23-17)11-19-18-4-2-1-3-14(18)12-20-9-7-15(22)8-10-20/h1-6,15,19,21-22H,7-13H2
InChIKeyPZACWMSQWMYVTN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.34
Rot. Bonds6

About 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol

1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol (PubChem CID 71972838) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol
PubChem CID71972838
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol
SMILESOCc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1
InChIInChI=1S/C18H24N2O3/c21-13-17-6-5-16(23-17)11-19-18-4-2-1-3-14(18)12-20-9-7-15(22)8-10-20/h1-6,15,19,21-22H,7-13H2
InChIKeyPZACWMSQWMYVTN-UHFFFAOYSA-N
XLogP2.34
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol (CID 71972838) is 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol is OCc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1.
What is the InChIKey of 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol?
The InChIKey is PZACWMSQWMYVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-13-17-6-5-16(23-17)11-19-18-4-2-1-3-14(18)12-20-9-7-15(22)8-10-20/h1-6,15,19,21-22H,7-13H2.
What are the key properties of 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol?
1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol has a molecular weight of 316.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 71972838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).