2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol

C15H24N2O — CID 117109305

IUPAC2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol
SMILESCC(c1ccc(C(C)(C)O)cc1)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-12(17-10-8-16-9-11-17)13-4-6-14(7-5-13)15(2,3)18/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyDJGWCRMUFDUCQL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.88
Rot. Bonds3

About 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol

2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol (PubChem CID 117109305) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol
PubChem CID117109305
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol
SMILESCC(c1ccc(C(C)(C)O)cc1)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-12(17-10-8-16-9-11-17)13-4-6-14(7-5-13)15(2,3)18/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyDJGWCRMUFDUCQL-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1,4-diazepan-1-yl)ethyl]phenol
CID 61057495
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
4-[(1R)-1-piperazin-1-ylethyl]benzonitrile
CID 93464434
4-(1-piperazin-1-ylethyl)benzaldehyde
CID 105473045
1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171287082
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
1-[(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165322
(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol (CID 117109305) is 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol is CC(c1ccc(C(C)(C)O)cc1)N1CCNCC1.
What is the InChIKey of 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol?
The InChIKey is DJGWCRMUFDUCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(17-10-8-16-9-11-17)13-4-6-14(7-5-13)15(2,3)18/h4-7,12,16,18H,8-11H2,1-3H3.
What are the key properties of 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol?
2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117109305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).