2-[1-(azepan-4-yl)piperidin-2-yl]ethanol

C13H26N2O — CID 103983135

IUPAC2-[1-(azepan-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1C1CCCNCC1
InChIInChI=1S/C13H26N2O/c16-11-7-13-4-1-2-10-15(13)12-5-3-8-14-9-6-12/h12-14,16H,1-11H2
InChIKeyXLLQPSLSKUJUBP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.37
Rot. Bonds3

About 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol

2-[1-(azepan-4-yl)piperidin-2-yl]ethanol (PubChem CID 103983135) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(azepan-4-yl)piperidin-2-yl]ethanol
PubChem CID103983135
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[1-(azepan-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1C1CCCNCC1
InChIInChI=1S/C13H26N2O/c16-11-7-13-4-1-2-10-15(13)12-5-3-8-14-9-6-12/h12-14,16H,1-11H2
InChIKeyXLLQPSLSKUJUBP-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
CID 84668410
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
2-[1-[1-(2-hydroxyethyl)piperazin-2-yl]piperidin-2-yl]ethanol;piperazine
CID 174426773
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
CID 84653848
2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 84755569
2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol
CID 28849794
4-[2-(hydroxymethyl)piperidin-1-yl]azepan-2-one
CID 63887904
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
2-[(2R)-1-cyclopentyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 51633511

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol (CID 103983135) is 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1C1CCCNCC1.
What is the InChIKey of 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol?
The InChIKey is XLLQPSLSKUJUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c16-11-7-13-4-1-2-10-15(13)12-5-3-8-14-9-6-12/h12-14,16H,1-11H2.
What are the key properties of 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol?
2-[1-(azepan-4-yl)piperidin-2-yl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azepan-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 103983135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).