2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol

C15H30N2O2 — CID 111439692

IUPAC2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C15H30N2O2/c18-11-13-19-12-10-16-7-5-6-15(14-16)17-8-3-1-2-4-9-17/h15,18H,1-14H2
InChIKeyPVDZSODYTRNPCX-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.34
Rot. Bonds6

About 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol

2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol (PubChem CID 111439692) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol
PubChem CID111439692
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C15H30N2O2/c18-11-13-19-12-10-16-7-5-6-15(14-16)17-8-3-1-2-4-9-17/h15,18H,1-14H2
InChIKeyPVDZSODYTRNPCX-UHFFFAOYSA-N
XLogP1.34
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79885800
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-ol
CID 103737930
2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
CID 66197330
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
2-(3-bromopropyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63151041
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
2-(5-methoxypentyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114129851
2-(2-bromoethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63151080

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol (CID 111439692) is 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol is OCCOCCN1CCCC(N2CCCCCC2)C1.
What is the InChIKey of 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol?
The InChIKey is PVDZSODYTRNPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c18-11-13-19-12-10-16-7-5-6-15(14-16)17-8-3-1-2-4-9-17/h15,18H,1-14H2.
What are the key properties of 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol?
2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol has a molecular weight of 270.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 111439692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).