1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine

C22H27N3O — CID 10948076

IUPAC1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc(C2=CCC(N3CCN(c4ccccn4)CC3)CC2)c1
InChIInChI=1S/C22H27N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-8,12,17,20H,9-11,13-16H2,1H3
InChIKeyDQBQKYJWMSLVPS-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.85
Rot. Bonds4

About 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine

1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine (PubChem CID 10948076) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine
PubChem CID10948076
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc(C2=CCC(N3CCN(c4ccccn4)CC3)CC2)c1
InChIInChI=1S/C22H27N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-8,12,17,20H,9-11,13-16H2,1H3
InChIKeyDQBQKYJWMSLVPS-UHFFFAOYSA-N
XLogP3.85
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine (CID 10948076) is 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine is COc1cccc(C2=CCC(N3CCN(c4ccccn4)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine?
The InChIKey is DQBQKYJWMSLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-8,12,17,20H,9-11,13-16H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine?
1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine has a molecular weight of 349.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10948076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).