1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

C18H24ClN3O — CID 120910643

IUPAC1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCCOc1ccc(CN2CCNCC2c2ccncc2)cc1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-2-22-17-5-3-15(4-6-17)14-21-12-11-20-13-18(21)16-7-9-19-10-8-16;/h3-10,18,20H,2,11-14H2,1H3;1H
InChIKeyCFUKMZSGRJZUTG-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.05
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910643) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910643
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCCOc1ccc(CN2CCNCC2c2ccncc2)cc1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-2-22-17-5-3-15(4-6-17)14-21-12-11-20-13-18(21)16-7-9-19-10-8-16;/h3-10,18,20H,2,11-14H2,1H3;1H
InChIKeyCFUKMZSGRJZUTG-UHFFFAOYSA-N
XLogP3.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
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
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910643) is 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is CCOc1ccc(CN2CCNCC2c2ccncc2)cc1.Cl.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is CFUKMZSGRJZUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-2-22-17-5-3-15(4-6-17)14-21-12-11-20-13-18(21)16-7-9-19-10-8-16;/h3-10,18,20H,2,11-14H2,1H3;1H.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).