(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

C19H24N2O2 — CID 735579

IUPAC(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESO[C@@H](COc1ccccc1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N2O2/c22-18(16-23-19-9-5-2-6-10-19)15-20-11-13-21(14-12-20)17-7-3-1-4-8-17/h1-10,18,22H,11-16H2/t18-/m1/s1
InChIKeyMHBQOAILOCNGPI-GOSISDBHSA-N
MW312.41 g/mol
LogP2.25
Rot. Bonds6

About (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 735579) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID735579
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESO[C@@H](COc1ccccc1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H24N2O2/c22-18(16-23-19-9-5-2-6-10-19)15-20-11-13-21(14-12-20)17-7-3-1-4-8-17/h1-10,18,22H,11-16H2/t18-/m1/s1
InChIKeyMHBQOAILOCNGPI-GOSISDBHSA-N
XLogP2.25
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2873605
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 5475559
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 735579) is (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is O[C@@H](COc1ccccc1)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is MHBQOAILOCNGPI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(16-23-19-9-5-2-6-10-19)15-20-11-13-21(14-12-20)17-7-3-1-4-8-17/h1-10,18,22H,11-16H2/t18-/m1/s1.
What are the key properties of (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 312.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 735579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).