2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane

C14H28N2O — CID 107393237

IUPAC2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane
SMILESCOC1(C)CCCN(CC2CCCCCN2)C1
InChIInChI=1S/C14H28N2O/c1-14(17-2)8-6-10-16(12-14)11-13-7-4-3-5-9-15-13/h13,15H,3-12H2,1-2H3
InChIKeyFJHFEVPTCMGECG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds3

About 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane

2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane (PubChem CID 107393237) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane
PubChem CID107393237
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane
SMILESCOC1(C)CCCN(CC2CCCCCN2)C1
InChIInChI=1S/C14H28N2O/c1-14(17-2)8-6-10-16(12-14)11-13-7-4-3-5-9-15-13/h13,15H,3-12H2,1-2H3
InChIKeyFJHFEVPTCMGECG-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxypiperidin-1-yl)methyl]azepane
CID 64569369
3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
CID 115023488
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 63220052
1-(azepan-2-ylmethyl)-4-methylazepane
CID 64570778
6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 107395119
7,7-dimethyl-4-(piperidin-2-ylmethyl)-1,4-thiazepane
CID 107455308
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 93204728
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-ol
CID 107395253
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
2-(pyrrolidin-2-ylmethyl)-2-azaspiro[3.5]nonane
CID 79677168

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane?
The IUPAC name of 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane (CID 107393237) is 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane.
What is the SMILES notation for 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane?
The canonical SMILES for 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane is COC1(C)CCCN(CC2CCCCCN2)C1.
What is the InChIKey of 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane?
The InChIKey is FJHFEVPTCMGECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(17-2)8-6-10-16(12-14)11-13-7-4-3-5-9-15-13/h13,15H,3-12H2,1-2H3.
What are the key properties of 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane?
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane has a molecular weight of 240.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane is sourced from PubChem (CID 107393237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).