1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine

C26H31N3O2 — CID 56665880

IUPAC1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESCOc1ccccc1N1CCN(C(c2ccc(OC(C)C)cc2)c2cccnc2)CC1
InChIInChI=1S/C26H31N3O2/c1-20(2)31-23-12-10-21(11-13-23)26(22-7-6-14-27-19-22)29-17-15-28(16-18-29)24-8-4-5-9-25(24)30-3/h4-14,19-20,26H,15-18H2,1-3H3
InChIKeyIVOWWTOCEBDHAZ-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.79
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine

1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine (PubChem CID 56665880) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine
PubChem CID56665880
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine
SMILESCOc1ccccc1N1CCN(C(c2ccc(OC(C)C)cc2)c2cccnc2)CC1
InChIInChI=1S/C26H31N3O2/c1-20(2)31-23-12-10-21(11-13-23)26(22-7-6-14-27-19-22)29-17-15-28(16-18-29)24-8-4-5-9-25(24)30-3/h4-14,19-20,26H,15-18H2,1-3H3
InChIKeyIVOWWTOCEBDHAZ-UHFFFAOYSA-N
XLogP4.79
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine (CID 56665880) is 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine is COc1ccccc1N1CCN(C(c2ccc(OC(C)C)cc2)c2cccnc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine?
The InChIKey is IVOWWTOCEBDHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-20(2)31-23-12-10-21(11-13-23)26(22-7-6-14-27-19-22)29-17-15-28(16-18-29)24-8-4-5-9-25(24)30-3/h4-14,19-20,26H,15-18H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine?
1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine has a molecular weight of 417.55 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazine is sourced from PubChem (CID 56665880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).