1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane

C15H30N2O — CID 47042992

IUPAC1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
SMILESCOCCN1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-18-13-12-16-10-6-15(7-11-16)14-17-8-4-2-3-5-9-17/h15H,2-14H2,1H3
InChIKeyCPAIZRHZLLAPHQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds5

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

1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane (PubChem CID 47042992) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
PubChem CID47042992
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
SMILESCOCCN1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-18-13-12-16-10-6-15(7-11-16)14-17-8-4-2-3-5-9-17/h15H,2-14H2,1H3
InChIKeyCPAIZRHZLLAPHQ-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-(2-methoxyethyl)azocane
CID 47014834
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56896311
1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63666891
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
CID 42392613
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane?
The IUPAC name of 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane (CID 47042992) is 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane?
The canonical SMILES for 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane is COCCN1CCC(CN2CCCCCC2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane?
The InChIKey is CPAIZRHZLLAPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-18-13-12-16-10-6-15(7-11-16)14-17-8-4-2-3-5-9-17/h15H,2-14H2,1H3.
What are the key properties of 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane?
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane has a molecular weight of 254.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane is sourced from PubChem (CID 47042992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).