2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol

C16H26N2O — CID 82262989

IUPAC2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)C(C)N2CCNCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11-9-12(2)15(13(3)10-11)16(19)14(4)18-7-5-17-6-8-18/h9-10,14,16-17,19H,5-8H2,1-4H3
InChIKeyAOBQBGKCDSUGST-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.94
Rot. Bonds3

About 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol

2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 82262989) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID82262989
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)C(C)N2CCNCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11-9-12(2)15(13(3)10-11)16(19)14(4)18-7-5-17-6-8-18/h9-10,14,16-17,19H,5-8H2,1-4H3
InChIKeyAOBQBGKCDSUGST-UHFFFAOYSA-N
XLogP1.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine
CID 82302013
1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82498846
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
1-[(1S)-2-fluoro-1-(2,4,6-trimethylphenyl)ethyl]piperazine;hydrochloride
CID 171181928
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
CID 171310942
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171285559
1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine
CID 171290602
1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82264598
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol (CID 82262989) is 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(O)C(C)N2CCNCC2)c(C)c1.
What is the InChIKey of 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is AOBQBGKCDSUGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-9-12(2)15(13(3)10-11)16(19)14(4)18-7-5-17-6-8-18/h9-10,14,16-17,19H,5-8H2,1-4H3.
What are the key properties of 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol?
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 82262989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).