[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol

C13H20N2O — CID 79884523

IUPAC[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCCCCC1
InChIInChI=1S/C13H20N2O/c1-11-8-12(10-16)9-14-13(11)15-6-4-2-3-5-7-15/h8-9,16H,2-7,10H2,1H3
InChIKeyWLBLCNCQHGGBKS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.26
Rot. Bonds2

About [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol

[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol (PubChem CID 79884523) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
PubChem CID79884523
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCCCCC1
InChIInChI=1S/C13H20N2O/c1-11-8-12(10-16)9-14-13(11)15-6-4-2-3-5-7-15/h8-9,16H,2-7,10H2,1H3
InChIKeyWLBLCNCQHGGBKS-UHFFFAOYSA-N
XLogP2.26
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol (CID 79884523) is [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)cnc1N1CCCCCC1.
What is the InChIKey of [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol?
The InChIKey is WLBLCNCQHGGBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-8-12(10-16)9-14-13(11)15-6-4-2-3-5-7-15/h8-9,16H,2-7,10H2,1H3.
What are the key properties of [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol?
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 79884523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).