1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol

C16H26N2O — CID 115414893

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(O)CC1CN(C)CCN1C
InChIInChI=1S/C16H26N2O/c1-13-6-4-5-7-14(13)10-16(19)11-15-12-17(2)8-9-18(15)3/h4-7,15-16,19H,8-12H2,1-3H3
InChIKeyXSQFOJFOMUPHBG-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.53
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol

1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol (PubChem CID 115414893) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
PubChem CID115414893
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(O)CC1CN(C)CCN1C
InChIInChI=1S/C16H26N2O/c1-13-6-4-5-7-14(13)10-16(19)11-15-12-17(2)8-9-18(15)3/h4-7,15-16,19H,8-12H2,1-3H3
InChIKeyXSQFOJFOMUPHBG-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 115415511
1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793699
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554
1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414918
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 115414890
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414955
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111831222
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
CID 113305480
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008451

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol (CID 115414893) is 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol is Cc1ccccc1CC(O)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol?
The InChIKey is XSQFOJFOMUPHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-4-5-7-14(13)10-16(19)11-15-12-17(2)8-9-18(15)3/h4-7,15-16,19H,8-12H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol?
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol is sourced from PubChem (CID 115414893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).