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

C16H26N2O2 — CID 114495326

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-4-16(2,19)13-17-8-10-18(11-9-17)14-6-5-7-15(12-14)20-3/h5-7,12,19H,4,8-11,13H2,1-3H3
InChIKeyBTFQWKZAEFCDTG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.98
Rot. Bonds5

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

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol (PubChem CID 114495326) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
PubChem CID114495326
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-4-16(2,19)13-17-8-10-18(11-9-17)14-6-5-7-15(12-14)20-3/h5-7,12,19H,4,8-11,13H2,1-3H3
InChIKeyBTFQWKZAEFCDTG-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
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
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110181732

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol (CID 114495326) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol is CCC(C)(O)CN1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol?
The InChIKey is BTFQWKZAEFCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-16(2,19)13-17-8-10-18(11-9-17)14-6-5-7-15(12-14)20-3/h5-7,12,19H,4,8-11,13H2,1-3H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114495326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).