2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol

C14H22N2O — CID 102545544

IUPAC2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol
SMILESCc1cc(N2CCCCCC2)ncc1CCO
InChIInChI=1S/C14H22N2O/c1-12-10-14(15-11-13(12)6-9-17)16-7-4-2-3-5-8-16/h10-11,17H,2-9H2,1H3
InChIKeyZXKUCVDKPYQIQH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.31
Rot. Bonds3

About 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol

2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol (PubChem CID 102545544) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol
PubChem CID102545544
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol
SMILESCc1cc(N2CCCCCC2)ncc1CCO
InChIInChI=1S/C14H22N2O/c1-12-10-14(15-11-13(12)6-9-17)16-7-4-2-3-5-8-16/h10-11,17H,2-9H2,1H3
InChIKeyZXKUCVDKPYQIQH-UHFFFAOYSA-N
XLogP2.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol?
The IUPAC name of 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol (CID 102545544) is 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol?
The canonical SMILES for 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol is Cc1cc(N2CCCCCC2)ncc1CCO.
What is the InChIKey of 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol?
The InChIKey is ZXKUCVDKPYQIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-10-14(15-11-13(12)6-9-17)16-7-4-2-3-5-8-16/h10-11,17H,2-9H2,1H3.
What are the key properties of 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol?
2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol is sourced from PubChem (CID 102545544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).