4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol

C18H22N2O — CID 82957492

IUPAC4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c1-15(16-7-9-18(21)10-8-16)19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-10,15,21H,11-14H2,1H3
InChIKeyPSGDCDYCUOXLRY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.28
Rot. Bonds3

About 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol

4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol (PubChem CID 82957492) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
PubChem CID82957492
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c1-15(16-7-9-18(21)10-8-16)19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-10,15,21H,11-14H2,1H3
InChIKeyPSGDCDYCUOXLRY-UHFFFAOYSA-N
XLogP3.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741719
1-(4-phenylpiperazin-1-yl)propane-1,2-diol
CID 18784131
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
CID 7085144
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride
CID 138111695
4-[(E)-3-methyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]but-1-enyl]phenol
CID 166135478
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol?
The IUPAC name of 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol (CID 82957492) is 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol is CC(c1ccc(O)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol?
The InChIKey is PSGDCDYCUOXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15(16-7-9-18(21)10-8-16)19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-10,15,21H,11-14H2,1H3.
What are the key properties of 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol?
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol has a molecular weight of 282.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol is sourced from PubChem (CID 82957492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).