4-[(4-methylpiperidin-1-yl)methyl]azepane

C13H26N2 — CID 86820456

IUPAC4-[(4-methylpiperidin-1-yl)methyl]azepane
SMILESCC1CCN(CC2CCCNCC2)CC1
InChIInChI=1S/C13H26N2/c1-12-5-9-15(10-6-12)11-13-3-2-7-14-8-4-13/h12-14H,2-11H2,1H3
InChIKeyREAIUGWBZYHWFC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds2

About 4-[(4-methylpiperidin-1-yl)methyl]azepane

4-[(4-methylpiperidin-1-yl)methyl]azepane (PubChem CID 86820456) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]azepane.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]azepane
PubChem CID86820456
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]azepane
SMILESCC1CCN(CC2CCCNCC2)CC1
InChIInChI=1S/C13H26N2/c1-12-5-9-15(10-6-12)11-13-3-2-7-14-8-4-13/h12-14H,2-11H2,1H3
InChIKeyREAIUGWBZYHWFC-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]azepane?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]azepane (CID 86820456) is 4-[(4-methylpiperidin-1-yl)methyl]azepane.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]azepane?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]azepane is CC1CCN(CC2CCCNCC2)CC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]azepane?
The InChIKey is REAIUGWBZYHWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12-5-9-15(10-6-12)11-13-3-2-7-14-8-4-13/h12-14H,2-11H2,1H3.
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]azepane?
4-[(4-methylpiperidin-1-yl)methyl]azepane has a molecular weight of 210.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)methyl]azepane is sourced from PubChem (CID 86820456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).