2-methyl-1-(5-methylpiperidin-3-yl)azepane

C13H26N2 — CID 115373516

IUPAC2-methyl-1-(5-methylpiperidin-3-yl)azepane
SMILESCC1CNCC(N2CCCCCC2C)C1
InChIInChI=1S/C13H26N2/c1-11-8-13(10-14-9-11)15-7-5-3-4-6-12(15)2/h11-14H,3-10H2,1-2H3
InChIKeyDRFAWOREWZKCBQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds1

About 2-methyl-1-(5-methylpiperidin-3-yl)azepane

2-methyl-1-(5-methylpiperidin-3-yl)azepane (PubChem CID 115373516) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-1-(5-methylpiperidin-3-yl)azepane.

Molecular Properties

Compound Name2-methyl-1-(5-methylpiperidin-3-yl)azepane
PubChem CID115373516
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-methyl-1-(5-methylpiperidin-3-yl)azepane
SMILESCC1CNCC(N2CCCCCC2C)C1
InChIInChI=1S/C13H26N2/c1-11-8-13(10-14-9-11)15-7-5-3-4-6-12(15)2/h11-14H,3-10H2,1-2H3
InChIKeyDRFAWOREWZKCBQ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
3-methyl-5-pyrrolidin-1-ylpiperidine
CID 79905165
(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine
CID 59401779
(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
CID 67423613
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
4-(2-methylpyrrolidin-1-yl)piperidine;dihydrochloride
CID 67478918
4-(2-methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807430
2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560129
3-cycloheptyl-5-methylpiperidine
CID 106781026
2-methyl-1-(4-methylpiperidin-3-yl)piperidine
CID 66272425
1-cyclopentyl-2-methyl-1,5-diazocane
CID 117014693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylpiperidin-3-yl)azepane?
The IUPAC name of 2-methyl-1-(5-methylpiperidin-3-yl)azepane (CID 115373516) is 2-methyl-1-(5-methylpiperidin-3-yl)azepane.
What is the SMILES notation for 2-methyl-1-(5-methylpiperidin-3-yl)azepane?
The canonical SMILES for 2-methyl-1-(5-methylpiperidin-3-yl)azepane is CC1CNCC(N2CCCCCC2C)C1.
What is the InChIKey of 2-methyl-1-(5-methylpiperidin-3-yl)azepane?
The InChIKey is DRFAWOREWZKCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-8-13(10-14-9-11)15-7-5-3-4-6-12(15)2/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-(5-methylpiperidin-3-yl)azepane?
2-methyl-1-(5-methylpiperidin-3-yl)azepane has a molecular weight of 210.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylpiperidin-3-yl)azepane is sourced from PubChem (CID 115373516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).