[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol

C15H24N2O2 — CID 116637083

IUPAC[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
SMILESCCc1cc(CO)cc(N2CCCCCC2CO)n1
InChIInChI=1S/C15H24N2O2/c1-2-13-8-12(10-18)9-15(16-13)17-7-5-3-4-6-14(17)11-19/h8-9,14,18-19H,2-7,10-11H2,1H3
InChIKeyLAMYYQQGPPWDNE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.88
Rot. Bonds4

About [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol

[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol (PubChem CID 116637083) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
PubChem CID116637083
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
SMILESCCc1cc(CO)cc(N2CCCCCC2CO)n1
InChIInChI=1S/C15H24N2O2/c1-2-13-8-12(10-18)9-15(16-13)17-7-5-3-4-6-14(17)11-19/h8-9,14,18-19H,2-7,10-11H2,1H3
InChIKeyLAMYYQQGPPWDNE-UHFFFAOYSA-N
XLogP1.88
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
CID 116637089
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
[2-(2,3-dimethylpiperidin-1-yl)-6-ethyl-4-pyridinyl]methanol
CID 113380499
[2-(2-ethylazepan-1-yl)-6-propan-2-yl-4-pyridinyl]methanol
CID 104691301
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
2-[2-(hydroxymethyl)azepan-1-yl]-6-propylpyridine-4-carboxylic acid
CID 116635077
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 113380422
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
CID 113380643
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
[1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637093
[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 80794563

Frequently Asked Questions

What is the IUPAC name of [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol?
The IUPAC name of [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol (CID 116637083) is [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol is CCc1cc(CO)cc(N2CCCCCC2CO)n1.
What is the InChIKey of [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol?
The InChIKey is LAMYYQQGPPWDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-13-8-12(10-18)9-15(16-13)17-7-5-3-4-6-14(17)11-19/h8-9,14,18-19H,2-7,10-11H2,1H3.
What are the key properties of [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol?
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol is sourced from PubChem (CID 116637083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).