1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine

C23H26N2O — CID 22762516

IUPAC1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine
SMILESCc1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)o2)cc1C
InChIInChI=1S/C23H26N2O/c1-18-8-9-20(16-19(18)2)23-11-10-22(26-23)17-24-12-14-25(15-13-24)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3
InChIKeyHTGUJDLBZUXWFC-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.89
Rot. Bonds4

About 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine

1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine (PubChem CID 22762516) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine
PubChem CID22762516
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine
SMILESCc1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)o2)cc1C
InChIInChI=1S/C23H26N2O/c1-18-8-9-20(16-19(18)2)23-11-10-22(26-23)17-24-12-14-25(15-13-24)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3
InChIKeyHTGUJDLBZUXWFC-UHFFFAOYSA-N
XLogP4.89
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-phenylpiperazine
CID 1375628
N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 22762680
[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62424178
[5-(3-chloro-4-methylphenyl)furan-2-yl]-(4-phenylpiperazin-1-yl)methanethione
CID 16957260
5-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42850708
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548612
4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 75532069
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 1375727
7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 2044963
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688549
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 22762631
4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine
CID 142747429

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine (CID 22762516) is 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine is Cc1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)o2)cc1C.
What is the InChIKey of 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine?
The InChIKey is HTGUJDLBZUXWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-18-8-9-20(16-19(18)2)23-11-10-22(26-23)17-24-12-14-25(15-13-24)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine?
1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine has a molecular weight of 346.47 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 22762516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).