1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride

C16H21Cl2N3O — CID 67387967

IUPAC1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(N2CCNCC2)c(OCc2ccncc2)c1
InChIInChI=1S/C16H19N3O.2ClH/c1-2-4-16(20-13-14-5-7-17-8-6-14)15(3-1)19-11-9-18-10-12-19;;/h1-8,18H,9-13H2;2*1H
InChIKeyLEYAAEBSJMOREZ-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride

1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride (PubChem CID 67387967) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
PubChem CID67387967
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(N2CCNCC2)c(OCc2ccncc2)c1
InChIInChI=1S/C16H19N3O.2ClH/c1-2-4-16(20-13-14-5-7-17-8-6-14)15(3-1)19-11-9-18-10-12-19;;/h1-8,18H,9-13H2;2*1H
InChIKeyLEYAAEBSJMOREZ-UHFFFAOYSA-N
XLogP2.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-octoxyphenyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride?
The IUPAC name of 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride (CID 67387967) is 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride is Cl.Cl.c1ccc(N2CCNCC2)c(OCc2ccncc2)c1.
What is the InChIKey of 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride?
The InChIKey is LEYAAEBSJMOREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-2-4-16(20-13-14-5-7-17-8-6-14)15(3-1)19-11-9-18-10-12-19;;/h1-8,18H,9-13H2;2*1H.
What are the key properties of 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride?
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride is sourced from PubChem (CID 67387967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).