4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol

C18H30N2O — CID 66454764

IUPAC4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCc1cccc(N2CCN(CC(C)(C)C(C)O)CC2)c1C
InChIInChI=1S/C18H30N2O/c1-14-7-6-8-17(15(14)2)20-11-9-19(10-12-20)13-18(4,5)16(3)21/h6-8,16,21H,9-13H2,1-5H3
InChIKeyJDWRZLIWKKAAQB-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.83
Rot. Bonds4

About 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 66454764) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID66454764
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCc1cccc(N2CCN(CC(C)(C)C(C)O)CC2)c1C
InChIInChI=1S/C18H30N2O/c1-14-7-6-8-17(15(14)2)20-11-9-19(10-12-20)13-18(4,5)16(3)21/h6-8,16,21H,9-13H2,1-5H3
InChIKeyJDWRZLIWKKAAQB-UHFFFAOYSA-N
XLogP2.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110883261
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 17453704
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 46557377
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8582991
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
1-tert-butyl-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111805965

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol (CID 66454764) is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol is Cc1cccc(N2CCN(CC(C)(C)C(C)O)CC2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is JDWRZLIWKKAAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-7-6-8-17(15(14)2)20-11-9-19(10-12-20)13-18(4,5)16(3)21/h6-8,16,21H,9-13H2,1-5H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol?
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66454764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).