1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine

C25H34N2O — CID 69217199

IUPAC1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine
SMILESCC1(C)C=C(c2ccccc2N2CCN(Cc3ccoc3)CC2)CC(C)(C)C1
InChIInChI=1S/C25H34N2O/c1-24(2)15-21(16-25(3,4)19-24)22-7-5-6-8-23(22)27-12-10-26(11-13-27)17-20-9-14-28-18-20/h5-9,14-15,18H,10-13,16-17,19H2,1-4H3
InChIKeyIXFCBXIVCMTQJF-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.83
Rot. Bonds4

About 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine

1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine (PubChem CID 69217199) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine
PubChem CID69217199
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine
SMILESCC1(C)C=C(c2ccccc2N2CCN(Cc3ccoc3)CC2)CC(C)(C)C1
InChIInChI=1S/C25H34N2O/c1-24(2)15-21(16-25(3,4)19-24)22-7-5-6-8-23(22)27-12-10-26(11-13-27)17-20-9-14-28-18-20/h5-9,14-15,18H,10-13,16-17,19H2,1-4H3
InChIKeyIXFCBXIVCMTQJF-UHFFFAOYSA-N
XLogP5.83
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Cambridge id 5266463
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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine?
The IUPAC name of 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine (CID 69217199) is 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine is CC1(C)C=C(c2ccccc2N2CCN(Cc3ccoc3)CC2)CC(C)(C)C1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine?
The InChIKey is IXFCBXIVCMTQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-24(2)15-21(16-25(3,4)19-24)22-7-5-6-8-23(22)27-12-10-26(11-13-27)17-20-9-14-28-18-20/h5-9,14-15,18H,10-13,16-17,19H2,1-4H3.
What are the key properties of 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine?
1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine has a molecular weight of 378.56 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine is sourced from PubChem (CID 69217199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).