1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine

C18H23N3O2 — CID 3874213

IUPAC1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
SMILESCOc1ccc(C(c2ccncc2)N2CCNCC2)cc1OC
InChIInChI=1S/C18H23N3O2/c1-22-16-4-3-15(13-17(16)23-2)18(14-5-7-19-8-6-14)21-11-9-20-10-12-21/h3-8,13,18,20H,9-12H2,1-2H3
InChIKeyGNTBLCAOSWOLFK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.09
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine

1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine (PubChem CID 3874213) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
PubChem CID3874213
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
SMILESCOc1ccc(C(c2ccncc2)N2CCNCC2)cc1OC
InChIInChI=1S/C18H23N3O2/c1-22-16-4-3-15(13-17(16)23-2)18(14-5-7-19-8-6-14)21-11-9-20-10-12-21/h3-8,13,18,20H,9-12H2,1-2H3
InChIKeyGNTBLCAOSWOLFK-UHFFFAOYSA-N
XLogP2.09
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[pyridin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3356255
1-[(3,4-dimethoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane
CID 3812216
1-[(3,4-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3614398
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine
CID 118253266
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3719968
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine (CID 3874213) is 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine is COc1ccc(C(c2ccncc2)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine?
The InChIKey is GNTBLCAOSWOLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-16-4-3-15(13-17(16)23-2)18(14-5-7-19-8-6-14)21-11-9-20-10-12-21/h3-8,13,18,20H,9-12H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine?
1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine has a molecular weight of 313.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine is sourced from PubChem (CID 3874213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).