(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol

C22H30N2O3 — CID 52905693

IUPAC(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc(OC)c([C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C22H30N2O3/c1-16-5-6-17(2)20(13-16)24-11-9-23(10-12-24)15-21(25)19-14-18(26-3)7-8-22(19)27-4/h5-8,13-14,21,25H,9-12,15H2,1-4H3/t21-/m1/s1
InChIKeyRGCOIEPMUIMDPD-OAQYLSRUSA-N
MW370.49 g/mol
LogP3.18
Rot. Bonds6

About (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol

(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol (PubChem CID 52905693) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
PubChem CID52905693
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc(OC)c([C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C22H30N2O3/c1-16-5-6-17(2)20(13-16)24-11-9-23(10-12-24)15-21(25)19-14-18(26-3)7-8-22(19)27-4/h5-8,13-14,21,25H,9-12,15H2,1-4H3/t21-/m1/s1
InChIKeyRGCOIEPMUIMDPD-OAQYLSRUSA-N
XLogP3.18
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
CID 53180191
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 62537711
(1S)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)ethanol
CID 51595920
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)ethanol
CID 46968065
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
[4-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 46956925
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 63633648
1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 7441278
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 98767477

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol (CID 52905693) is (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol is COc1ccc(OC)c([C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol?
The InChIKey is RGCOIEPMUIMDPD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-5-6-17(2)20(13-16)24-11-9-23(10-12-24)15-21(25)19-14-18(26-3)7-8-22(19)27-4/h5-8,13-14,21,25H,9-12,15H2,1-4H3/t21-/m1/s1.
What are the key properties of (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol?
(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol has a molecular weight of 370.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 52905693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).