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

C14H22Cl2N2 — CID 67711383

IUPAC2-(1-piperidin-1-ylethyl)azocine;dihydrochloride
SMILESCC(/C1=N/C=CC=CC=C1)N1CCCCC1.Cl.Cl
InChIInChI=1S/C14H20N2.2ClH/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;2*1H/b3-2?,5-2?,6-3?,9-5?,10-6?,14-9?,15-10?,15-14+;;
InChIKeyHQRKRKMTDSXSBZ-NTCIFMCMSA-N
MW289.25 g/mol
LogP3.79
Rot. Bonds2

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

2-(1-piperidin-1-ylethyl)azocine;dihydrochloride (PubChem CID 67711383) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylethyl)azocine;dihydrochloride.

Molecular Properties

Compound Name2-(1-piperidin-1-ylethyl)azocine;dihydrochloride
PubChem CID67711383
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name2-(1-piperidin-1-ylethyl)azocine;dihydrochloride
SMILESCC(/C1=N/C=CC=CC=C1)N1CCCCC1.Cl.Cl
InChIInChI=1S/C14H20N2.2ClH/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;2*1H/b3-2?,5-2?,6-3?,9-5?,10-6?,14-9?,15-10?,15-14+;;
InChIKeyHQRKRKMTDSXSBZ-NTCIFMCMSA-N
XLogP3.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.79
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;dihydrochloride?
The IUPAC name of 2-(1-piperidin-1-ylethyl)azocine;dihydrochloride (CID 67711383) is 2-(1-piperidin-1-ylethyl)azocine;dihydrochloride.
What is the SMILES notation for 2-(1-piperidin-1-ylethyl)azocine;dihydrochloride?
The canonical SMILES for 2-(1-piperidin-1-ylethyl)azocine;dihydrochloride is CC(/C1=N/C=CC=CC=C1)N1CCCCC1.Cl.Cl.
What is the InChIKey of 2-(1-piperidin-1-ylethyl)azocine;dihydrochloride?
The InChIKey is HQRKRKMTDSXSBZ-NTCIFMCMSA-N. The full InChI is InChI=1S/C14H20N2.2ClH/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;2*1H/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;dihydrochloride?
2-(1-piperidin-1-ylethyl)azocine;dihydrochloride has a molecular weight of 289.25 g/mol, XLogP of 3.79, 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;dihydrochloride is sourced from PubChem (CID 67711383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).