1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine

C22H26N2O — CID 70622762

IUPAC1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine
SMILESCc1ccc(C2(CN3CCN(c4ccccc4)CC3)CC=CO2)cc1
InChIInChI=1S/C22H26N2O/c1-19-8-10-20(11-9-19)22(12-5-17-25-22)18-23-13-15-24(16-14-23)21-6-3-2-4-7-21/h2-11,17H,12-16,18H2,1H3
InChIKeyFHZIJEKGAOCLBZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.95
Rot. Bonds4

About 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine

1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine (PubChem CID 70622762) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine
PubChem CID70622762
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine
SMILESCc1ccc(C2(CN3CCN(c4ccccc4)CC3)CC=CO2)cc1
InChIInChI=1S/C22H26N2O/c1-19-8-10-20(11-9-19)22(12-5-17-25-22)18-23-13-15-24(16-14-23)21-6-3-2-4-7-21/h2-11,17H,12-16,18H2,1H3
InChIKeyFHZIJEKGAOCLBZ-UHFFFAOYSA-N
XLogP3.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(4-methylphenyl)-1-bicyclo[1.1.1]pentanyl]methyl]-4-phenylpiperazine
CID 158989412
1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine
CID 90145475
1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine
CID 122688760
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 818475
methane;5-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,3-diphenyloxolan-2-one
CID 157064716
2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine
CID 65480516
1-(4-methylphenyl)-4-(2-phenylethyl)piperazin-4-ium
CID 6942812
4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;hydrochloride
CID 3055010
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine (CID 70622762) is 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine is Cc1ccc(C2(CN3CCN(c4ccccc4)CC3)CC=CO2)cc1.
What is the InChIKey of 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine?
The InChIKey is FHZIJEKGAOCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-19-8-10-20(11-9-19)22(12-5-17-25-22)18-23-13-15-24(16-14-23)21-6-3-2-4-7-21/h2-11,17H,12-16,18H2,1H3.
What are the key properties of 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine?
1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine has a molecular weight of 334.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylphenyl)-3H-furan-2-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 70622762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).