(2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine

C25H29N3O2 — CID 93242193

IUPAC(2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine
SMILESCOc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)cc1OCc1ccccn1
InChIInChI=1S/C25H29N3O2/c1-27-14-15-28(23(18-27)21-8-4-3-5-9-21)17-20-11-12-24(29-2)25(16-20)30-19-22-10-6-7-13-26-22/h3-13,16,23H,14-15,17-19H2,1-2H3/t23-/m0/s1
InChIKeyVOPWUBMBBOMTSN-QHCPKHFHSA-N
MW403.53 g/mol
LogP4.16
Rot. Bonds7

About (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine

(2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine (PubChem CID 93242193) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name(2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine
PubChem CID93242193
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name(2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine
SMILESCOc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)cc1OCc1ccccn1
InChIInChI=1S/C25H29N3O2/c1-27-14-15-28(23(18-27)21-8-4-3-5-9-21)17-20-11-12-24(29-2)25(16-20)30-19-22-10-6-7-13-26-22/h3-13,16,23H,14-15,17-19H2,1-2H3/t23-/m0/s1
InChIKeyVOPWUBMBBOMTSN-QHCPKHFHSA-N
XLogP4.16
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine?
The IUPAC name of (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine (CID 93242193) is (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine.
What is the SMILES notation for (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine?
The canonical SMILES for (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine is COc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)cc1OCc1ccccn1.
What is the InChIKey of (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine?
The InChIKey is VOPWUBMBBOMTSN-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-27-14-15-28(23(18-27)21-8-4-3-5-9-21)17-20-11-12-24(29-2)25(16-20)30-19-22-10-6-7-13-26-22/h3-13,16,23H,14-15,17-19H2,1-2H3/t23-/m0/s1.
What are the key properties of (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine?
(2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine has a molecular weight of 403.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methyl]-4-methyl-2-phenylpiperazine is sourced from PubChem (CID 93242193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).