1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine

C22H29N3O — CID 10871856

IUPAC1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccccc1C1CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3
InChIKeyFCPLDXWPGMEXLL-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.94
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine

1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine (PubChem CID 10871856) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
PubChem CID10871856
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccccc1C1CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3
InChIKeyFCPLDXWPGMEXLL-UHFFFAOYSA-N
XLogP3.94
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine (CID 10871856) is 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine is COc1ccccc1C1CCC(N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The InChIKey is FCPLDXWPGMEXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-26-21-7-3-2-6-20(21)18-9-11-19(12-10-18)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,18-19H,9-12,14-17H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine has a molecular weight of 351.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10871856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).