1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine

C20H24N2O — CID 13462902

IUPAC1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine
SMILESCC1OCC(N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H24N2O/c1-16-18-9-5-6-10-19(18)20(15-23-16)22-13-11-21(12-14-22)17-7-3-2-4-8-17/h2-10,16,20H,11-15H2,1H3
InChIKeySBRLRPUGIROJSQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.64
Rot. Bonds2

About 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine

1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine (PubChem CID 13462902) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine
PubChem CID13462902
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine
SMILESCC1OCC(N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H24N2O/c1-16-18-9-5-6-10-19(18)20(15-23-16)22-13-11-21(12-14-22)17-7-3-2-4-8-17/h2-10,16,20H,11-15H2,1H3
InChIKeySBRLRPUGIROJSQ-UHFFFAOYSA-N
XLogP3.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-methyl-3,4-dihydro-1H-isochromene
CID 175402558
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
CID 6937921
1-(2-adamantyl)-4-phenylpiperazine
CID 1378368
ethane;4-methyl-1-phenylpiperidine
CID 143180672
1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-(4-phenylpiperazin-1-yl)propane-1,2-diol
CID 18784131
1-fluoro-4-phenylpiperazine
CID 23450926
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine
CID 82171454
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine
CID 92968612
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
1-phenyl-4-[(1R,2S,5S,6R)-2-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptan-5-yl]piperazine
CID 10737641

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine?
The IUPAC name of 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine (CID 13462902) is 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine is CC1OCC(N2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine?
The InChIKey is SBRLRPUGIROJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-18-9-5-6-10-19(18)20(15-23-16)22-13-11-21(12-14-22)17-7-3-2-4-8-17/h2-10,16,20H,11-15H2,1H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine?
1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine has a molecular weight of 308.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine is sourced from PubChem (CID 13462902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).