1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine

C25H29N3O2 — CID 1122600

IUPAC1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESCOc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C25H29N3O2/c1-29-24-10-9-22(16-25(24)30-20-21-6-3-2-4-7-21)18-27-12-14-28(15-13-27)19-23-8-5-11-26-17-23/h2-11,16-17H,12-15,18-20H2,1H3
InChIKeyPQTHPNLPQOMALV-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.99
Rot. Bonds8

About 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine

1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 1122600) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
PubChem CID1122600
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESCOc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C25H29N3O2/c1-29-24-10-9-22(16-25(24)30-20-21-6-3-2-4-7-21)18-27-12-14-28(15-13-27)19-23-8-5-11-26-17-23/h2-11,16-17H,12-15,18-20H2,1H3
InChIKeyPQTHPNLPQOMALV-UHFFFAOYSA-N
XLogP3.99
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine (CID 1122600) is 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine is COc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1OCc1ccccc1.
What is the InChIKey of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is PQTHPNLPQOMALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-29-24-10-9-22(16-25(24)30-20-21-6-3-2-4-7-21)18-27-12-14-28(15-13-27)19-23-8-5-11-26-17-23/h2-11,16-17H,12-15,18-20H2,1H3.
What are the key properties of 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine?
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 403.53 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 1122600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).