1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine

C22H29N3O2 — CID 85469108

IUPAC1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine
SMILESCOc1ccc(-c2cc(CC3CCOCC3)nc(N3CCNCC3)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-26-21-4-2-18(3-5-21)19-15-20(14-17-6-12-27-13-7-17)24-22(16-19)25-10-8-23-9-11-25/h2-5,15-17,23H,6-14H2,1H3
InChIKeyJZTJDKUPEDCVKO-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.14
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine

1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine (PubChem CID 85469108) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine
PubChem CID85469108
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine
SMILESCOc1ccc(-c2cc(CC3CCOCC3)nc(N3CCNCC3)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-26-21-4-2-18(3-5-21)19-15-20(14-17-6-12-27-13-7-17)24-22(16-19)25-10-8-23-9-11-25/h2-5,15-17,23H,6-14H2,1H3
InChIKeyJZTJDKUPEDCVKO-UHFFFAOYSA-N
XLogP3.14
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine (CID 85469108) is 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine is COc1ccc(-c2cc(CC3CCOCC3)nc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine?
The InChIKey is JZTJDKUPEDCVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-26-21-4-2-18(3-5-21)19-15-20(14-17-6-12-27-13-7-17)24-22(16-19)25-10-8-23-9-11-25/h2-5,15-17,23H,6-14H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine?
1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine has a molecular weight of 367.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-6-(oxan-4-ylmethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 85469108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).