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

C16H27N3O2 — CID 64819623

IUPAC1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
SMILESCOc1ccccc1N1CCN(CCC(C)(O)CN)CC1
InChIInChI=1S/C16H27N3O2/c1-16(20,13-17)7-8-18-9-11-19(12-10-18)14-5-3-4-6-15(14)21-2/h3-6,20H,7-13,17H2,1-2H3
InChIKeyNTFBSCSKNQODFW-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.92
Rot. Bonds6

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

1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol (PubChem CID 64819623) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
PubChem CID64819623
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
SMILESCOc1ccccc1N1CCN(CCC(C)(O)CN)CC1
InChIInChI=1S/C16H27N3O2/c1-16(20,13-17)7-8-18-9-11-19(12-10-18)14-5-3-4-6-15(14)21-2/h3-6,20H,7-13,17H2,1-2H3
InChIKeyNTFBSCSKNQODFW-UHFFFAOYSA-N
XLogP0.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
CID 166286980
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
CID 22482100
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine
CID 62261924
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
CID 54039106
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol (CID 64819623) is 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol is COc1ccccc1N1CCN(CCC(C)(O)CN)CC1.
What is the InChIKey of 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol?
The InChIKey is NTFBSCSKNQODFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(20,13-17)7-8-18-9-11-19(12-10-18)14-5-3-4-6-15(14)21-2/h3-6,20H,7-13,17H2,1-2H3.
What are the key properties of 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol?
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 64819623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).