2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride

C22H25ClN4O — CID 120910611

IUPAC2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.c1cc(COc2ccc(CN3CCNCC3c3ccncc3)cc2)ccn1
InChIInChI=1S/C22H24N4O.ClH/c1-3-21(27-17-19-5-9-23-10-6-19)4-2-18(1)16-26-14-13-25-15-22(26)20-7-11-24-12-8-20;/h1-12,22,25H,13-17H2;1H
InChIKeyOZICHVAHSGAUBA-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.62
Rot. Bonds6

About 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride

2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 120910611) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID120910611
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.c1cc(COc2ccc(CN3CCNCC3c3ccncc3)cc2)ccn1
InChIInChI=1S/C22H24N4O.ClH/c1-3-21(27-17-19-5-9-23-10-6-19)4-2-18(1)16-26-14-13-25-15-22(26)20-7-11-24-12-8-20;/h1-12,22,25H,13-17H2;1H
InChIKeyOZICHVAHSGAUBA-UHFFFAOYSA-N
XLogP3.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910784
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562
1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768105
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride (CID 120910611) is 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride is Cl.c1cc(COc2ccc(CN3CCNCC3c3ccncc3)cc2)ccn1.
What is the InChIKey of 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is OZICHVAHSGAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c1-3-21(27-17-19-5-9-23-10-6-19)4-2-18(1)16-26-14-13-25-15-22(26)20-7-11-24-12-8-20;/h1-12,22,25H,13-17H2;1H.
What are the key properties of 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride?
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 120910611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).