2-(1-piperidin-1-ylethyl)azocine

C14H20N2 — CID 67711384

IUPAC2-(1-piperidin-1-ylethyl)azocine
SMILESCC(/C1=N/C=CC=CC=C1)N1CCCCC1
InChIInChI=1S/C14H20N2/c1-13(16-11-7-4-8-12-16)14-9-5-2-3-6-10-15-14/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3/b3-2?,5-2?,6-3?,9-5?,10-6?,14-9?,15-10?,15-14+
InChIKeyGMZOSPKQJOONIN-HYKBNRATSA-N
MW216.33 g/mol
LogP2.94
Rot. Bonds2

About 2-(1-piperidin-1-ylethyl)azocine

2-(1-piperidin-1-ylethyl)azocine (PubChem CID 67711384) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylethyl)azocine.

Molecular Properties

Compound Name2-(1-piperidin-1-ylethyl)azocine
PubChem CID67711384
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(1-piperidin-1-ylethyl)azocine
SMILESCC(/C1=N/C=CC=CC=C1)N1CCCCC1
InChIInChI=1S/C14H20N2/c1-13(16-11-7-4-8-12-16)14-9-5-2-3-6-10-15-14/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3/b3-2?,5-2?,6-3?,9-5?,10-6?,14-9?,15-10?,15-14+
InChIKeyGMZOSPKQJOONIN-HYKBNRATSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-1-ylethyl)azocine?
The IUPAC name of 2-(1-piperidin-1-ylethyl)azocine (CID 67711384) is 2-(1-piperidin-1-ylethyl)azocine.
What is the SMILES notation for 2-(1-piperidin-1-ylethyl)azocine?
The canonical SMILES for 2-(1-piperidin-1-ylethyl)azocine is CC(/C1=N/C=CC=CC=C1)N1CCCCC1.
What is the InChIKey of 2-(1-piperidin-1-ylethyl)azocine?
The InChIKey is GMZOSPKQJOONIN-HYKBNRATSA-N. The full InChI is InChI=1S/C14H20N2/c1-13(16-11-7-4-8-12-16)14-9-5-2-3-6-10-15-14/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3/b3-2?,5-2?,6-3?,9-5?,10-6?,14-9?,15-10?,15-14+.
What are the key properties of 2-(1-piperidin-1-ylethyl)azocine?
2-(1-piperidin-1-ylethyl)azocine has a molecular weight of 216.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-1-ylethyl)azocine is sourced from PubChem (CID 67711384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).