2-(azepan-4-yl)ethanol

C8H17NO — CID 20528719

IUPAC2-(azepan-4-yl)ethanol
SMILESOCCC1CCCNCC1
InChIInChI=1S/C8H17NO/c10-7-4-8-2-1-5-9-6-3-8/h8-10H,1-7H2
InChIKeyMUOUCYOATBNGTO-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds2

About 2-(azepan-4-yl)ethanol

2-(azepan-4-yl)ethanol (PubChem CID 20528719) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(azepan-4-yl)ethanol.

Molecular Properties

Compound Name2-(azepan-4-yl)ethanol
PubChem CID20528719
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(azepan-4-yl)ethanol
SMILESOCCC1CCCNCC1
InChIInChI=1S/C8H17NO/c10-7-4-8-2-1-5-9-6-3-8/h8-10H,1-7H2
InChIKeyMUOUCYOATBNGTO-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Azepan-3-yl)methanol
CID 21901984
(Azepan-4-yl)methanol
CID 22594076
3-[(3R)-pyrrolidin-3-yl]propan-1-ol hydrochloride
CID 170914857
rac-[(1R,6S,7R)-3-azabicyclo[4.1.0]heptan-7-yl]methanol
CID 167729373
3-Piperidin-3-ylpropan-1-ol
CID 4712476
(5-Fluoroazepan-4-yl)methanol
CID 84072755
(5,5-Difluoroazepan-4-yl)methanol
CID 105530287
[(4R,5R)-5-fluoroazepan-4-yl]methanol
CID 105531306
[(4S,5R)-5-fluoroazepan-4-yl]methanol
CID 105531534
(4-Fluoroazepan-4-yl)methanol
CID 118798562
[(4R)-4-fluoroazepan-4-yl]methanol
CID 125117034
[(4S)-4-fluoroazepan-4-yl]methanol
CID 125117035

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-yl)ethanol?
The IUPAC name of 2-(azepan-4-yl)ethanol (CID 20528719) is 2-(azepan-4-yl)ethanol.
What is the SMILES notation for 2-(azepan-4-yl)ethanol?
The canonical SMILES for 2-(azepan-4-yl)ethanol is OCCC1CCCNCC1.
What is the InChIKey of 2-(azepan-4-yl)ethanol?
The InChIKey is MUOUCYOATBNGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c10-7-4-8-2-1-5-9-6-3-8/h8-10H,1-7H2.
What are the key properties of 2-(azepan-4-yl)ethanol?
2-(azepan-4-yl)ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-yl)ethanol is sourced from PubChem (CID 20528719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).