3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol

C16H26N2O2 — CID 62271087

IUPAC3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
SMILESCOc1cccc(N2CCN(CC(C)(C)CO)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-16(2,13-19)12-17-7-9-18(10-8-17)14-5-4-6-15(11-14)20-3/h4-6,11,19H,7-10,12-13H2,1-3H3
InChIKeyJHZBPIMJGLDQEG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.84
Rot. Bonds5

About 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol

3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol (PubChem CID 62271087) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
PubChem CID62271087
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
SMILESCOc1cccc(N2CCN(CC(C)(C)CO)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-16(2,13-19)12-17-7-9-18(10-8-17)14-5-4-6-15(11-14)20-3/h4-6,11,19H,7-10,12-13H2,1-3H3
InChIKeyJHZBPIMJGLDQEG-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62271088
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 114495326
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 66455314
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 62272663
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-amine
CID 66453614
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270034
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol (CID 62271087) is 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol is COc1cccc(N2CCN(CC(C)(C)CO)CC2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is JHZBPIMJGLDQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,13-19)12-17-7-9-18(10-8-17)14-5-4-6-15(11-14)20-3/h4-6,11,19H,7-10,12-13H2,1-3H3.
What are the key properties of 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol?
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62271087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).