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

C22H29N3 — CID 25156123

IUPAC1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccccc1C1CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3
InChIKeyISKQMAXCHQFYHK-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.24
Rot. Bonds3

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

1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine (PubChem CID 25156123) has the molecular formula C22H29N3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
PubChem CID25156123
Molecular FormulaC22H29N3
Molecular Weight335.49 g/mol
Exact Mass335.24
IUPAC Name1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
SMILESCc1ccccc1C1CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3
InChIKeyISKQMAXCHQFYHK-UHFFFAOYSA-N
XLogP4.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine (CID 25156123) is 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine is Cc1ccccc1C1CCC(N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The InChIKey is ISKQMAXCHQFYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3.
What are the key properties of 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine has a molecular weight of 335.49 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)cyclohexyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 25156123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).