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

C17H28N2O2 — CID 62271088

IUPAC2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-4-17(2,14-20)13-18-8-10-19(11-9-18)15-6-5-7-16(12-15)21-3/h5-7,12,20H,4,8-11,13-14H2,1-3H3
InChIKeyTZKIXVJFRCBLGT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.23
Rot. Bonds6

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

2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol (PubChem CID 62271088) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
PubChem CID62271088
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-4-17(2,14-20)13-18-8-10-19(11-9-18)15-6-5-7-16(12-15)21-3/h5-7,12,20H,4,8-11,13-14H2,1-3H3
InChIKeyTZKIXVJFRCBLGT-UHFFFAOYSA-N
XLogP2.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 114495326
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
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol (CID 62271088) is 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CN1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol?
The InChIKey is TZKIXVJFRCBLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-17(2,14-20)13-18-8-10-19(11-9-18)15-6-5-7-16(12-15)21-3/h5-7,12,20H,4,8-11,13-14H2,1-3H3.
What are the key properties of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol?
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 62271088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).