4-(2,3-dimethylpiperidin-1-yl)azepane

C13H26N2 — CID 63903287

IUPAC4-(2,3-dimethylpiperidin-1-yl)azepane
SMILESCC1CCCN(C2CCCNCC2)C1C
InChIInChI=1S/C13H26N2/c1-11-5-4-10-15(12(11)2)13-6-3-8-14-9-7-13/h11-14H,3-10H2,1-2H3
InChIKeyKWBMJPLBELBWKC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds1

About 4-(2,3-dimethylpiperidin-1-yl)azepane

4-(2,3-dimethylpiperidin-1-yl)azepane (PubChem CID 63903287) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)azepane.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)azepane
PubChem CID63903287
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)azepane
SMILESCC1CCCN(C2CCCNCC2)C1C
InChIInChI=1S/C13H26N2/c1-11-5-4-10-15(12(11)2)13-6-3-8-14-9-7-13/h11-14H,3-10H2,1-2H3
InChIKeyKWBMJPLBELBWKC-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)azepane?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)azepane (CID 63903287) is 4-(2,3-dimethylpiperidin-1-yl)azepane.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)azepane?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)azepane is CC1CCCN(C2CCCNCC2)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)azepane?
The InChIKey is KWBMJPLBELBWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-5-4-10-15(12(11)2)13-6-3-8-14-9-7-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)azepane?
4-(2,3-dimethylpiperidin-1-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 4-(2,3-dimethylpiperidin-1-yl)azepane is sourced from PubChem (CID 63903287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).