2-ethyl-1-(6-methylpiperidin-3-yl)azepane

C14H28N2 — CID 104690102

IUPAC2-ethyl-1-(6-methylpiperidin-3-yl)azepane
SMILESCCC1CCCCCN1C1CCC(C)NC1
InChIInChI=1S/C14H28N2/c1-3-13-7-5-4-6-10-16(13)14-9-8-12(2)15-11-14/h12-15H,3-11H2,1-2H3
InChIKeyUYSBPPPUVYOOSK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds2

About 2-ethyl-1-(6-methylpiperidin-3-yl)azepane

2-ethyl-1-(6-methylpiperidin-3-yl)azepane (PubChem CID 104690102) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-ethyl-1-(6-methylpiperidin-3-yl)azepane.

Molecular Properties

Compound Name2-ethyl-1-(6-methylpiperidin-3-yl)azepane
PubChem CID104690102
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-ethyl-1-(6-methylpiperidin-3-yl)azepane
SMILESCCC1CCCCCN1C1CCC(C)NC1
InChIInChI=1S/C14H28N2/c1-3-13-7-5-4-6-10-16(13)14-9-8-12(2)15-11-14/h12-15H,3-11H2,1-2H3
InChIKeyUYSBPPPUVYOOSK-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(6-methylpiperidin-3-yl)piperidine
CID 63157512
4-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 112546179
5-(2-cyclopentylpyrrolidin-1-yl)-2-methylpiperidine
CID 63155886
2-ethyl-1-pyrrolidin-3-ylpyrrolidine
CID 58468068
1-(5-methylpyrrolidin-3-yl)-2-propylpyrrolidine
CID 131196022
1-cyclopropyl-2-ethylazetidine
CID 170195818
2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine
CID 113441638
2-ethyl-1-(thietan-3-yl)pyrrolidine
CID 166158037
2-(2-ethylpiperidin-1-yl)cyclododecan-1-amine
CID 43266440
1-cyclopentyl-2-ethyl-4-methylpiperidine
CID 59900610
ethane;2-ethyl-1-(thietan-3-yl)pyrrolidine
CID 166158036
2-ethyl-5-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954867

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(6-methylpiperidin-3-yl)azepane?
The IUPAC name of 2-ethyl-1-(6-methylpiperidin-3-yl)azepane (CID 104690102) is 2-ethyl-1-(6-methylpiperidin-3-yl)azepane.
What is the SMILES notation for 2-ethyl-1-(6-methylpiperidin-3-yl)azepane?
The canonical SMILES for 2-ethyl-1-(6-methylpiperidin-3-yl)azepane is CCC1CCCCCN1C1CCC(C)NC1.
What is the InChIKey of 2-ethyl-1-(6-methylpiperidin-3-yl)azepane?
The InChIKey is UYSBPPPUVYOOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-13-7-5-4-6-10-16(13)14-9-8-12(2)15-11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-1-(6-methylpiperidin-3-yl)azepane?
2-ethyl-1-(6-methylpiperidin-3-yl)azepane has a molecular weight of 224.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(6-methylpiperidin-3-yl)azepane is sourced from PubChem (CID 104690102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).