1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol

C18H25N3O3 — CID 45204429

IUPAC1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
SMILESCOCc1ccc(CNCc2cccnc2N2CCCC(O)C2)o1
InChIInChI=1S/C18H25N3O3/c1-23-13-17-7-6-16(24-17)11-19-10-14-4-2-8-20-18(14)21-9-3-5-15(22)12-21/h2,4,6-8,15,19,22H,3,5,9-13H2,1H3
InChIKeyIBRIVRIYCLLUEC-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.07
Rot. Bonds7

About 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol

1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 45204429) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
PubChem CID45204429
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
SMILESCOCc1ccc(CNCc2cccnc2N2CCCC(O)C2)o1
InChIInChI=1S/C18H25N3O3/c1-23-13-17-7-6-16(24-17)11-19-10-14-4-2-8-20-18(14)21-9-3-5-15(22)12-21/h2,4,6-8,15,19,22H,3,5,9-13H2,1H3
InChIKeyIBRIVRIYCLLUEC-UHFFFAOYSA-N
XLogP2.07
TPSA70.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol (CID 45204429) is 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol is COCc1ccc(CNCc2cccnc2N2CCCC(O)C2)o1.
What is the InChIKey of 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is IBRIVRIYCLLUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-23-13-17-7-6-16(24-17)11-19-10-14-4-2-8-20-18(14)21-9-3-5-15(22)12-21/h2,4,6-8,15,19,22H,3,5,9-13H2,1H3.
What are the key properties of 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol?
1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 331.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 45204429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).