1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol

C13H20N2O2 — CID 114681019

IUPAC1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol
SMILESCc1nc(N2CCC(O)C(C)C2)ccc1CO
InChIInChI=1S/C13H20N2O2/c1-9-7-15(6-5-12(9)17)13-4-3-11(8-16)10(2)14-13/h3-4,9,12,16-17H,5-8H2,1-2H3
InChIKeyRBIGFPAYEKWZQA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.09
Rot. Bonds2

About 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol

1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol (PubChem CID 114681019) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol
PubChem CID114681019
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol
SMILESCc1nc(N2CCC(O)C(C)C2)ccc1CO
InChIInChI=1S/C13H20N2O2/c1-9-7-15(6-5-12(9)17)13-4-3-11(8-16)10(2)14-13/h3-4,9,12,16-17H,5-8H2,1-2H3
InChIKeyRBIGFPAYEKWZQA-UHFFFAOYSA-N
XLogP1.09
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 153453437
[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methanol
CID 140932750
[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 106316371
1-(6-bromo-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114679698
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
CID 79884530
1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
CID 114679659
(3S,4R)-1-(5-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445711
1-[6-(hydroxymethyl)-2-pyridinyl]-4-methylpiperidin-3-ol
CID 102964194
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
CID 112625893
2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546243
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473000

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol (CID 114681019) is 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol is Cc1nc(N2CCC(O)C(C)C2)ccc1CO.
What is the InChIKey of 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol?
The InChIKey is RBIGFPAYEKWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-7-15(6-5-12(9)17)13-4-3-11(8-16)10(2)14-13/h3-4,9,12,16-17H,5-8H2,1-2H3.
What are the key properties of 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol?
1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol has a molecular weight of 236.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).