1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine

C23H25N3O — CID 118253266

IUPAC1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine
SMILESCOc1cccc(-c2ccc(C(c3ccncc3)N3CCNCC3)cc2)c1
InChIInChI=1S/C23H25N3O/c1-27-22-4-2-3-21(17-22)18-5-7-19(8-6-18)23(20-9-11-24-12-10-20)26-15-13-25-14-16-26/h2-12,17,23,25H,13-16H2,1H3
InChIKeyNTHCZJCDLQVQGC-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.75
Rot. Bonds5

About 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine

1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine (PubChem CID 118253266) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine
PubChem CID118253266
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine
SMILESCOc1cccc(-c2ccc(C(c3ccncc3)N3CCNCC3)cc2)c1
InChIInChI=1S/C23H25N3O/c1-27-22-4-2-3-21(17-22)18-5-7-19(8-6-18)23(20-9-11-24-12-10-20)26-15-13-25-14-16-26/h2-12,17,23,25H,13-16H2,1H3
InChIKeyNTHCZJCDLQVQGC-UHFFFAOYSA-N
XLogP3.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
CID 3874213
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[pyridin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3356255
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
CID 5211839
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine?
The IUPAC name of 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine (CID 118253266) is 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine.
What is the SMILES notation for 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine?
The canonical SMILES for 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine is COc1cccc(-c2ccc(C(c3ccncc3)N3CCNCC3)cc2)c1.
What is the InChIKey of 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine?
The InChIKey is NTHCZJCDLQVQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-27-22-4-2-3-21(17-22)18-5-7-19(8-6-18)23(20-9-11-24-12-10-20)26-15-13-25-14-16-26/h2-12,17,23,25H,13-16H2,1H3.
What are the key properties of 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine?
1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine has a molecular weight of 359.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine is sourced from PubChem (CID 118253266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).