1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride

C19H26ClN3O — CID 45259205

IUPAC1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride
SMILESCOc1c(C)cc(CN2CCN(c3ccccn3)CC2)cc1C.Cl
InChIInChI=1S/C19H25N3O.ClH/c1-15-12-17(13-16(2)19(15)23-3)14-21-8-10-22(11-9-21)18-6-4-5-7-20-18;/h4-7,12-13H,8-11,14H2,1-3H3;1H
InChIKeyJAAGGEUUSJKUBA-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.45
Rot. Bonds4

About 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride

1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride (PubChem CID 45259205) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride
PubChem CID45259205
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride
SMILESCOc1c(C)cc(CN2CCN(c3ccccn3)CC2)cc1C.Cl
InChIInChI=1S/C19H25N3O.ClH/c1-15-12-17(13-16(2)19(15)23-3)14-21-8-10-22(11-9-21)18-6-4-5-7-20-18;/h4-7,12-13H,8-11,14H2,1-3H3;1H
InChIKeyJAAGGEUUSJKUBA-UHFFFAOYSA-N
XLogP3.45
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride (CID 45259205) is 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride is COc1c(C)cc(CN2CCN(c3ccccn3)CC2)cc1C.Cl.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride?
The InChIKey is JAAGGEUUSJKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.ClH/c1-15-12-17(13-16(2)19(15)23-3)14-21-8-10-22(11-9-21)18-6-4-5-7-20-18;/h4-7,12-13H,8-11,14H2,1-3H3;1H.
What are the key properties of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride?
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-4-pyridin-2-ylpiperazine;hydrochloride is sourced from PubChem (CID 45259205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).