2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane

C15H30N2O — CID 104690309

IUPAC2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane
SMILESCCC1CCCCCN1CCOC1CCNCC1
InChIInChI=1S/C15H30N2O/c1-2-14-6-4-3-5-11-17(14)12-13-18-15-7-9-16-10-8-15/h14-16H,2-13H2,1H3
InChIKeyQKBKKBBADBUAHH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds5

About 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane

2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane (PubChem CID 104690309) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane.

Molecular Properties

Compound Name2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane
PubChem CID104690309
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane
SMILESCCC1CCCCCN1CCOC1CCNCC1
InChIInChI=1S/C15H30N2O/c1-2-14-6-4-3-5-11-17(14)12-13-18-15-7-9-16-10-8-15/h14-16H,2-13H2,1H3
InChIKeyQKBKKBBADBUAHH-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-ethylpyrrolidin-1-yl)ethoxy]piperidine
CID 63904346
[1-(2-cycloheptyloxyethyl)piperidin-2-yl]methanol
CID 111448204
1-(2-piperidin-4-yloxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 55251141
4-[2-(2-ethylpyrrolidin-1-yl)ethyl]piperidine;hydrochloride
CID 120663507
1-dodecyl-2-ethylpiperidine
CID 171569899
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
1-(2-cyclohexyloxyethyl)-1,5-diazocane
CID 63826545
4-[2-(2-ethylazepan-1-yl)ethoxy]benzonitrile
CID 115642546
1,2-diethylpiperidine
CID 19604037
(2R)-2-ethyl-1-[2-[(2S)-piperidin-2-yl]ethyl]piperidine
CID 28704997
2-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122677

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane?
The IUPAC name of 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane (CID 104690309) is 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane.
What is the SMILES notation for 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane?
The canonical SMILES for 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane is CCC1CCCCCN1CCOC1CCNCC1.
What is the InChIKey of 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane?
The InChIKey is QKBKKBBADBUAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-14-6-4-3-5-11-17(14)12-13-18-15-7-9-16-10-8-15/h14-16H,2-13H2,1H3.
What are the key properties of 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane?
2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane has a molecular weight of 254.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-piperidin-4-yloxyethyl)azepane is sourced from PubChem (CID 104690309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).