4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol

C21H28N2O3 — CID 110183923

IUPAC4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol
SMILESCOc1cccc(N2CCN(C(C)C(O)c3ccc(O)c(C)c3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-15-13-17(7-8-20(15)24)21(25)16(2)22-9-11-23(12-10-22)18-5-4-6-19(14-18)26-3/h4-8,13-14,16,21,24-25H,9-12H2,1-3H3
InChIKeyCTUJGRFXADDKCY-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.95
Rot. Bonds5

About 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol

4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol (PubChem CID 110183923) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol
PubChem CID110183923
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol
SMILESCOc1cccc(N2CCN(C(C)C(O)c3ccc(O)c(C)c3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-15-13-17(7-8-20(15)24)21(25)16(2)22-9-11-23(12-10-22)18-5-4-6-19(14-18)26-3/h4-8,13-14,16,21,24-25H,9-12H2,1-3H3
InChIKeyCTUJGRFXADDKCY-UHFFFAOYSA-N
XLogP2.95
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 160837430
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62418996
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46561315
3-methoxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 103225441
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 94176715
1-(3-methoxyphenyl)azepane
CID 57276431

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol?
The IUPAC name of 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol (CID 110183923) is 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol.
What is the SMILES notation for 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol?
The canonical SMILES for 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol is COc1cccc(N2CCN(C(C)C(O)c3ccc(O)c(C)c3)CC2)c1.
What is the InChIKey of 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol?
The InChIKey is CTUJGRFXADDKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-13-17(7-8-20(15)24)21(25)16(2)22-9-11-23(12-10-22)18-5-4-6-19(14-18)26-3/h4-8,13-14,16,21,24-25H,9-12H2,1-3H3.
What are the key properties of 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol?
4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol has a molecular weight of 356.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenol is sourced from PubChem (CID 110183923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).