2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol

C15H24N2O — CID 4274670

IUPAC2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-8-12(2)15(13(3)9-11)14(18)10-17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3
InChIKeyJNLMACXFSLIINE-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.55
Rot. Bonds3

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

2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 4274670) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID4274670
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-8-12(2)15(13(3)9-11)14(18)10-17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3
InChIKeyJNLMACXFSLIINE-UHFFFAOYSA-N
XLogP1.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3878762
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol
CID 82267582
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 116939906
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82262989
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
CID 64597263
1-(5-methylfuran-2-yl)-2-piperazin-1-ylethanol
CID 3494816
1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073558

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol (CID 4274670) is 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CN2CCNCC2)c(C)c1.
What is the InChIKey of 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is JNLMACXFSLIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-8-12(2)15(13(3)9-11)14(18)10-17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3.
What are the key properties of 2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol?
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.55, 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)ethanol is sourced from PubChem (CID 4274670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).