2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C26H35ClN2O2 — CID 139676959

IUPAC2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(Cc3ccccc3Cl)CC1)O2
InChIInChI=1S/C26H35ClN2O2/c1-18-19(2)25-22(20(3)24(18)30)9-10-26(4,31-25)11-12-28-13-15-29(16-14-28)17-21-7-5-6-8-23(21)27/h5-8,30H,9-17H2,1-4H3
InChIKeyFQCQMUPJXJFWHU-UHFFFAOYSA-N
MW443.03 g/mol
LogP5.26
Rot. Bonds5

About 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 139676959) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID139676959
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC Name2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(Cc3ccccc3Cl)CC1)O2
InChIInChI=1S/C26H35ClN2O2/c1-18-19(2)25-22(20(3)24(18)30)9-10-26(4,31-25)11-12-28-13-15-29(16-14-28)17-21-7-5-6-8-23(21)27/h5-8,30H,9-17H2,1-4H3
InChIKeyFQCQMUPJXJFWHU-UHFFFAOYSA-N
XLogP5.26
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.03
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol with MolForge

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Related Compounds

2-(4,8-dimethyldodecyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20758468
2,5,7,8-tetramethyl-2-(5,10,14-trimethylpentadecyl)-3,4-dihydrochromen-6-ol
CID 123549807
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol
CID 11645227
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856451
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979989
1,2,3,4-tetrahydroacridin-9-amine;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 70251682
7-(2,5,6,7,8-pentamethyl-3,4-dihydrochromen-2-yl)heptyl-triphenylphosphanium
CID 138474373
4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135642166
(E)-but-2-enedioic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174773601

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 139676959) is 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(Cc3ccccc3Cl)CC1)O2.
What is the InChIKey of 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is FQCQMUPJXJFWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN2O2/c1-18-19(2)25-22(20(3)24(18)30)9-10-26(4,31-25)11-12-28-13-15-29(16-14-28)17-21-7-5-6-8-23(21)27/h5-8,30H,9-17H2,1-4H3.
What are the key properties of 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 443.03 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 139676959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).