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

C17H20ClF2N3O — CID 120910278

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.FC(F)Oc1ccc(CN2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C17H19F2N3O.ClH/c18-17(19)23-15-3-1-13(2-4-15)12-22-10-9-21-11-16(22)14-5-7-20-8-6-14;/h1-8,16-17,21H,9-12H2;1H
InChIKeyUKMQNWZUQJVEIQ-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.25
Rot. Bonds5

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

1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910278) has the molecular formula C17H20ClF2N3O and a molecular weight of 355.82 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910278
Molecular FormulaC17H20ClF2N3O
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.FC(F)Oc1ccc(CN2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C17H19F2N3O.ClH/c18-17(19)23-15-3-1-13(2-4-15)12-22-10-9-21-11-16(22)14-5-7-20-8-6-14;/h1-8,16-17,21H,9-12H2;1H
InChIKeyUKMQNWZUQJVEIQ-UHFFFAOYSA-N
XLogP3.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659582
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910574
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 120909944
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
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910278) is 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride is Cl.FC(F)Oc1ccc(CN2CCNCC2c2ccncc2)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is UKMQNWZUQJVEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O.ClH/c18-17(19)23-15-3-1-13(2-4-15)12-22-10-9-21-11-16(22)14-5-7-20-8-6-14;/h1-8,16-17,21H,9-12H2;1H.
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).