1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol

C16H26N2O2 — CID 60971064

IUPAC1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCOc1ccc(C(O)CN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)18-10-8-17(9-11-18)12-16(19)14-4-6-15(20-3)7-5-14/h4-7,13,16,19H,8-12H2,1-3H3
InChIKeyRQGPFRHFTOHGOG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol

1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol (PubChem CID 60971064) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
PubChem CID60971064
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCOc1ccc(C(O)CN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)18-10-8-17(9-11-18)12-16(19)14-4-6-15(20-3)7-5-14/h4-7,13,16,19H,8-12H2,1-3H3
InChIKeyRQGPFRHFTOHGOG-UHFFFAOYSA-N
XLogP1.75
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944543
(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol
CID 95049270
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501364
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol (CID 60971064) is 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol is COc1ccc(C(O)CN2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The InChIKey is RQGPFRHFTOHGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)18-10-8-17(9-11-18)12-16(19)14-4-6-15(20-3)7-5-14/h4-7,13,16,19H,8-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 60971064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).