4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C14H22N2O3 — CID 116686378

IUPAC4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNC2CCCCC2O)c1O
InChIInChI=1S/C14H22N2O3/c1-9-14(19)11(10(8-17)6-15-9)7-16-12-4-2-3-5-13(12)18/h6,12-13,16-19H,2-5,7-8H2,1H3
InChIKeyUWBCBQHMECLWQT-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.98
Rot. Bonds4

About 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 116686378) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID116686378
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNC2CCCCC2O)c1O
InChIInChI=1S/C14H22N2O3/c1-9-14(19)11(10(8-17)6-15-9)7-16-12-4-2-3-5-13(12)18/h6,12-13,16-19H,2-5,7-8H2,1H3
InChIKeyUWBCBQHMECLWQT-UHFFFAOYSA-N
XLogP0.98
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 116686378) is 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNC2CCCCC2O)c1O.
What is the InChIKey of 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is UWBCBQHMECLWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-14(19)11(10(8-17)6-15-9)7-16-12-4-2-3-5-13(12)18/h6,12-13,16-19H,2-5,7-8H2,1H3.
What are the key properties of 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 266.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxycyclohexyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 116686378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).