7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine

C15H24N2 — CID 123370701

IUPAC7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
SMILESCCC1=NC=CCC(CCC2CCNCC2)=C1
InChIInChI=1S/C15H24N2/c1-2-15-12-14(4-3-9-17-15)6-5-13-7-10-16-11-8-13/h3,9,12-13,16H,2,4-8,10-11H2,1H3
InChIKeyPBOVKBYHHJIWHB-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.46
Rot. Bonds4

About 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine

7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine (PubChem CID 123370701) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine.

Molecular Properties

Compound Name7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
PubChem CID123370701
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
SMILESCCC1=NC=CCC(CCC2CCNCC2)=C1
InChIInChI=1S/C15H24N2/c1-2-15-12-14(4-3-9-17-15)6-5-13-7-10-16-11-8-13/h3,9,12-13,16H,2,4-8,10-11H2,1H3
InChIKeyPBOVKBYHHJIWHB-UHFFFAOYSA-N
XLogP3.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine?
The IUPAC name of 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine (CID 123370701) is 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine.
What is the SMILES notation for 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine?
The canonical SMILES for 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine is CCC1=NC=CCC(CCC2CCNCC2)=C1.
What is the InChIKey of 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine?
The InChIKey is PBOVKBYHHJIWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-15-12-14(4-3-9-17-15)6-5-13-7-10-16-11-8-13/h3,9,12-13,16H,2,4-8,10-11H2,1H3.
What are the key properties of 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine?
7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine has a molecular weight of 232.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine is sourced from PubChem (CID 123370701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).