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

C13H26N2 — CID 17389613

IUPAC2-[(4-methylpiperidin-1-yl)methyl]azepane
SMILESCC1CCN(CC2CCCCCN2)CC1
InChIInChI=1S/C13H26N2/c1-12-6-9-15(10-7-12)11-13-5-3-2-4-8-14-13/h12-14H,2-11H2,1H3
InChIKeyQBELRXGKFSZIKU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds2

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

2-[(4-methylpiperidin-1-yl)methyl]azepane (PubChem CID 17389613) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)methyl]azepane.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)methyl]azepane
PubChem CID17389613
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-[(4-methylpiperidin-1-yl)methyl]azepane
SMILESCC1CCN(CC2CCCCCN2)CC1
InChIInChI=1S/C13H26N2/c1-12-6-9-15(10-7-12)11-13-5-3-2-4-8-14-13/h12-14H,2-11H2,1H3
InChIKeyQBELRXGKFSZIKU-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]azepane?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]azepane (CID 17389613) is 2-[(4-methylpiperidin-1-yl)methyl]azepane.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)methyl]azepane?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)methyl]azepane is CC1CCN(CC2CCCCCN2)CC1.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)methyl]azepane?
The InChIKey is QBELRXGKFSZIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12-6-9-15(10-7-12)11-13-5-3-2-4-8-14-13/h12-14H,2-11H2,1H3.
What are the key properties of 2-[(4-methylpiperidin-1-yl)methyl]azepane?
2-[(4-methylpiperidin-1-yl)methyl]azepane has a molecular weight of 210.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)methyl]azepane is sourced from PubChem (CID 17389613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).