[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C13H18N2O2 — CID 153453437

IUPAC[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCc1nc(N2CC3C(CO)C3C2)ccc1CO
InChIInChI=1S/C13H18N2O2/c1-8-9(6-16)2-3-13(14-8)15-4-10-11(5-15)12(10)7-17/h2-3,10-12,16-17H,4-7H2,1H3
InChIKeyZPHCVHVHZHYLEN-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.56
Rot. Bonds3

About [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 153453437) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID153453437
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCc1nc(N2CC3C(CO)C3C2)ccc1CO
InChIInChI=1S/C13H18N2O2/c1-8-9(6-16)2-3-13(14-8)15-4-10-11(5-15)12(10)7-17/h2-3,10-12,16-17H,4-7H2,1H3
InChIKeyZPHCVHVHZHYLEN-UHFFFAOYSA-N
XLogP0.56
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 153453437) is [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol is Cc1nc(N2CC3C(CO)C3C2)ccc1CO.
What is the InChIKey of [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is ZPHCVHVHZHYLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-9(6-16)2-3-13(14-8)15-4-10-11(5-15)12(10)7-17/h2-3,10-12,16-17H,4-7H2,1H3.
What are the key properties of [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 234.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 153453437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).