2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol

C16H26N2O — CID 55055417

IUPAC2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
SMILESCc1cccc(N2CCN(CC(C)(C)CO)CC2)c1
InChIInChI=1S/C16H26N2O/c1-14-5-4-6-15(11-14)18-9-7-17(8-10-18)12-16(2,3)13-19/h4-6,11,19H,7-10,12-13H2,1-3H3
InChIKeyDIQMLBKFDJRLNY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.14
Rot. Bonds4

About 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol

2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol (PubChem CID 55055417) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
PubChem CID55055417
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
SMILESCc1cccc(N2CCN(CC(C)(C)CO)CC2)c1
InChIInChI=1S/C16H26N2O/c1-14-5-4-6-15(11-14)18-9-7-17(8-10-18)12-16(2,3)13-19/h4-6,11,19H,7-10,12-13H2,1-3H3
InChIKeyDIQMLBKFDJRLNY-UHFFFAOYSA-N
XLogP2.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270034
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine
CID 75517123
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol (CID 55055417) is 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol is Cc1cccc(N2CCN(CC(C)(C)CO)CC2)c1.
What is the InChIKey of 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is DIQMLBKFDJRLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-5-4-6-15(11-14)18-9-7-17(8-10-18)12-16(2,3)13-19/h4-6,11,19H,7-10,12-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol?
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 55055417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).