4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol

C22H28N2O2 — CID 122688746

IUPAC4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC[C@H]3CC(c4ccccc4)CO3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c25-21-8-6-20(7-9-21)24-14-12-23(13-15-24)11-10-22-16-19(17-26-22)18-4-2-1-3-5-18/h1-9,19,22,25H,10-17H2/t19?,22-/m0/s1
InChIKeyXDLCSRZJHODUIW-BPARTEKVSA-N
MW352.48 g/mol
LogP3.48
Rot. Bonds5

About 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol

4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol (PubChem CID 122688746) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol
PubChem CID122688746
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CC[C@H]3CC(c4ccccc4)CO3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c25-21-8-6-20(7-9-21)24-14-12-23(13-15-24)11-10-22-16-19(17-26-22)18-4-2-1-3-5-18/h1-9,19,22,25H,10-17H2/t19?,22-/m0/s1
InChIKeyXDLCSRZJHODUIW-BPARTEKVSA-N
XLogP3.48
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]phenol;dihydrochloride
CID 23288826
4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol
CID 22154312
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
CID 139607830
3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
CID 134069455
4-[2-(4-phenylpiperidin-1-yl)ethyl]phenol
CID 14819324
(3S)-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
CID 140837559
(5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
CID 122688809
1-[2-(4,4-diphenyloxolan-2-yl)ethyl]-4-(4-methylphenyl)piperazine
CID 122688760
4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile
CID 112799666
1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine
CID 171355756
3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 122367613

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol (CID 122688746) is 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CC[C@H]3CC(c4ccccc4)CO3)CC2)cc1.
What is the InChIKey of 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol?
The InChIKey is XDLCSRZJHODUIW-BPARTEKVSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21-8-6-20(7-9-21)24-14-12-23(13-15-24)11-10-22-16-19(17-26-22)18-4-2-1-3-5-18/h1-9,19,22,25H,10-17H2/t19?,22-/m0/s1.
What are the key properties of 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol?
4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol has a molecular weight of 352.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2R)-4-phenyloxolan-2-yl]ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 122688746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).