2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

C25H32N2O3 — CID 23723514

IUPAC2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc2c(c1)C=C(CN1CCN(Cc3ccccc3C)C(CCO)C1)CO2
InChIInChI=1S/C25H32N2O3/c1-19-5-3-4-6-21(19)16-27-11-10-26(17-23(27)9-12-28)15-20-13-22-14-24(29-2)7-8-25(22)30-18-20/h3-8,13-14,23,28H,9-12,15-18H2,1-2H3
InChIKeyVOZDFMKRDAILGC-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.35
Rot. Bonds7

About 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723514) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723514
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc2c(c1)C=C(CN1CCN(Cc3ccccc3C)C(CCO)C1)CO2
InChIInChI=1S/C25H32N2O3/c1-19-5-3-4-6-21(19)16-27-11-10-26(17-23(27)9-12-28)15-20-13-22-14-24(29-2)7-8-25(22)30-18-20/h3-8,13-14,23,28H,9-12,15-18H2,1-2H3
InChIKeyVOZDFMKRDAILGC-UHFFFAOYSA-N
XLogP3.35
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

(2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 9967131
(2-Ethoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10111225
(2-Isopropoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10272852
4-(4-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 11668368
Metoxepin
CID 32226
2-{1-(4-ethoxybenzyl)-4-[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]-2-piperazinyl}ethanol
CID 16188705
1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazine
CID 11381875
(S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methylmorpholino)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44439863
2-[3-(4-Methoxyphenoxy)propyl]-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 2944487
2-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}-4-methoxyphenol
CID 16188059
1-Benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10714699
1-Benzyl-4-[3-(5-methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-piperazine
CID 10738317

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 23723514) is 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is COc1ccc2c(c1)C=C(CN1CCN(Cc3ccccc3C)C(CCO)C1)CO2.
What is the InChIKey of 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is VOZDFMKRDAILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-5-3-4-6-21(19)16-27-11-10-26(17-23(27)9-12-28)15-20-13-22-14-24(29-2)7-8-25(22)30-18-20/h3-8,13-14,23,28H,9-12,15-18H2,1-2H3.
What are the key properties of 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 408.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).