5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol

C16H26N2O3 — CID 131922976

IUPAC5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol
SMILESCCCOC1CCCN(Cc2c(CO)cnc(C)c2O)C1
InChIInChI=1S/C16H26N2O3/c1-3-7-21-14-5-4-6-18(9-14)10-15-13(11-19)8-17-12(2)16(15)20/h8,14,19-20H,3-7,9-11H2,1-2H3
InChIKeyMKVZBHMHZBFOLA-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.98
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol (PubChem CID 131922976) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol
PubChem CID131922976
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol
SMILESCCCOC1CCCN(Cc2c(CO)cnc(C)c2O)C1
InChIInChI=1S/C16H26N2O3/c1-3-7-21-14-5-4-6-18(9-14)10-15-13(11-19)8-17-12(2)16(15)20/h8,14,19-20H,3-7,9-11H2,1-2H3
InChIKeyMKVZBHMHZBFOLA-UHFFFAOYSA-N
XLogP1.98
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol (CID 131922976) is 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol is CCCOC1CCCN(Cc2c(CO)cnc(C)c2O)C1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol?
The InChIKey is MKVZBHMHZBFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-7-21-14-5-4-6-18(9-14)10-15-13(11-19)8-17-12(2)16(15)20/h8,14,19-20H,3-7,9-11H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol has a molecular weight of 294.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol is sourced from PubChem (CID 131922976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).