1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine

C23H29N3 — CID 25156678

IUPAC1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine
SMILESCc1cccc(C)c1C1=CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C23H29N3/c1-18-6-5-7-19(2)23(18)20-9-11-21(12-10-20)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-9,13,21H,10-12,14-17H2,1-2H3
InChIKeyCXRPNLXEOUCETI-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.46
Rot. Bonds3

About 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine

1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine (PubChem CID 25156678) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine
PubChem CID25156678
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine
SMILESCc1cccc(C)c1C1=CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C23H29N3/c1-18-6-5-7-19(2)23(18)20-9-11-21(12-10-20)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-9,13,21H,10-12,14-17H2,1-2H3
InChIKeyCXRPNLXEOUCETI-UHFFFAOYSA-N
XLogP4.46
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine (CID 25156678) is 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine is Cc1cccc(C)c1C1=CCC(N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine?
The InChIKey is CXRPNLXEOUCETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-18-6-5-7-19(2)23(18)20-9-11-21(12-10-20)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-9,13,21H,10-12,14-17H2,1-2H3.
What are the key properties of 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine?
1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine has a molecular weight of 347.51 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 25156678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).