2-[(4-methoxypiperidin-1-yl)methyl]azepane

C13H26N2O — CID 64569369

IUPAC2-[(4-methoxypiperidin-1-yl)methyl]azepane
SMILESCOC1CCN(CC2CCCCCN2)CC1
InChIInChI=1S/C13H26N2O/c1-16-13-6-9-15(10-7-13)11-12-5-3-2-4-8-14-12/h12-14H,2-11H2,1H3
InChIKeyKXAONAVGWIVBAM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds3

About 2-[(4-methoxypiperidin-1-yl)methyl]azepane

2-[(4-methoxypiperidin-1-yl)methyl]azepane (PubChem CID 64569369) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(4-methoxypiperidin-1-yl)methyl]azepane.

Molecular Properties

Compound Name2-[(4-methoxypiperidin-1-yl)methyl]azepane
PubChem CID64569369
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(4-methoxypiperidin-1-yl)methyl]azepane
SMILESCOC1CCN(CC2CCCCCN2)CC1
InChIInChI=1S/C13H26N2O/c1-16-13-6-9-15(10-7-13)11-12-5-3-2-4-8-14-12/h12-14H,2-11H2,1H3
InChIKeyKXAONAVGWIVBAM-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
1-(azepan-2-ylmethyl)-4-methylazepane
CID 64570778
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine
CID 63971924
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902
4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazolidine
CID 43373036
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane
CID 107393237
3-methoxy-1-(2-piperidin-2-ylethyl)piperidine
CID 102965751
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
2-[4-[[(2S)-piperidin-2-yl]methyl]piperazin-1-yl]ethanol
CID 97109268

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]azepane?
The IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]azepane (CID 64569369) is 2-[(4-methoxypiperidin-1-yl)methyl]azepane.
What is the SMILES notation for 2-[(4-methoxypiperidin-1-yl)methyl]azepane?
The canonical SMILES for 2-[(4-methoxypiperidin-1-yl)methyl]azepane is COC1CCN(CC2CCCCCN2)CC1.
What is the InChIKey of 2-[(4-methoxypiperidin-1-yl)methyl]azepane?
The InChIKey is KXAONAVGWIVBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-13-6-9-15(10-7-13)11-12-5-3-2-4-8-14-12/h12-14H,2-11H2,1H3.
What are the key properties of 2-[(4-methoxypiperidin-1-yl)methyl]azepane?
2-[(4-methoxypiperidin-1-yl)methyl]azepane has a molecular weight of 226.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypiperidin-1-yl)methyl]azepane is sourced from PubChem (CID 64569369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).