2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane

C16H32N2 — CID 83199088

IUPAC2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane
SMILESCC1CCCCCN1CC(C)(C)C1CCCNC1
InChIInChI=1S/C16H32N2/c1-14-8-5-4-6-11-18(14)13-16(2,3)15-9-7-10-17-12-15/h14-15,17H,4-13H2,1-3H3
InChIKeyGLLSHUABCYMFRB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane

2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane (PubChem CID 83199088) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane
PubChem CID83199088
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane
SMILESCC1CCCCCN1CC(C)(C)C1CCCNC1
InChIInChI=1S/C16H32N2/c1-14-8-5-4-6-11-18(14)13-16(2,3)15-9-7-10-17-12-15/h14-15,17H,4-13H2,1-3H3
InChIKeyGLLSHUABCYMFRB-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane?
The IUPAC name of 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane (CID 83199088) is 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane?
The canonical SMILES for 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane is CC1CCCCCN1CC(C)(C)C1CCCNC1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane?
The InChIKey is GLLSHUABCYMFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-8-5-4-6-11-18(14)13-16(2,3)15-9-7-10-17-12-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane?
2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane is sourced from PubChem (CID 83199088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).