1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol

C16H27N3O — CID 64818966

IUPAC1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
SMILESCc1cccc(N2CCN(CCC(C)(O)CN)CC2)c1
InChIInChI=1S/C16H27N3O/c1-14-4-3-5-15(12-14)19-10-8-18(9-11-19)7-6-16(2,20)13-17/h3-5,12,20H,6-11,13,17H2,1-2H3
InChIKeyVUKJGHYFAHAFLU-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.22
Rot. Bonds5

About 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol

1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol (PubChem CID 64818966) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
PubChem CID64818966
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
SMILESCc1cccc(N2CCN(CCC(C)(O)CN)CC2)c1
InChIInChI=1S/C16H27N3O/c1-14-4-3-5-15(12-14)19-10-8-18(9-11-19)7-6-16(2,20)13-17/h3-5,12,20H,6-11,13,17H2,1-2H3
InChIKeyVUKJGHYFAHAFLU-UHFFFAOYSA-N
XLogP1.22
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol (CID 64818966) is 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol is Cc1cccc(N2CCN(CCC(C)(O)CN)CC2)c1.
What is the InChIKey of 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol?
The InChIKey is VUKJGHYFAHAFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14-4-3-5-15(12-14)19-10-8-18(9-11-19)7-6-16(2,20)13-17/h3-5,12,20H,6-11,13,17H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol?
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 64818966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).