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

C14H22N2O — CID 102546243

IUPAC2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol
SMILESCc1nc(N2CCCCCC2)ccc1CCO
InChIInChI=1S/C14H22N2O/c1-12-13(8-11-17)6-7-14(15-12)16-9-4-2-3-5-10-16/h6-7,17H,2-5,8-11H2,1H3
InChIKeyMFQULRRAAJOCKJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.31
Rot. Bonds3

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

2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol (PubChem CID 102546243) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol
PubChem CID102546243
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol
SMILESCc1nc(N2CCCCCC2)ccc1CCO
InChIInChI=1S/C14H22N2O/c1-12-13(8-11-17)6-7-14(15-12)16-9-4-2-3-5-10-16/h6-7,17H,2-5,8-11H2,1H3
InChIKeyMFQULRRAAJOCKJ-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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Related Compounds

1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 102546381
(1R)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502467
(1S)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502468
6-(azepan-1-yl)-2-methylpyridine-3-carboxylic acid
CID 79886015
2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545544
2-[6-(2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546514
1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)propan-1-one
CID 102546217
(1R)-1-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanol
CID 124502448
2-(6-chloro-2-methyl-3-pyridinyl)ethanol
CID 87555750
[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methanol
CID 140932750
6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol
CID 144603265
2-(5-methyl-2-piperidin-1-ylphenyl)ethanol
CID 117313218

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol?
The IUPAC name of 2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol (CID 102546243) is 2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol?
The canonical SMILES for 2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol is Cc1nc(N2CCCCCC2)ccc1CCO.
What is the InChIKey of 2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol?
The InChIKey is MFQULRRAAJOCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-13(8-11-17)6-7-14(15-12)16-9-4-2-3-5-10-16/h6-7,17H,2-5,8-11H2,1H3.
What are the key properties of 2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol?
2-[6-(azepan-1-yl)-2-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)-2-methyl-3-pyridinyl]ethanol is sourced from PubChem (CID 102546243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).