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

C21H28N2O2 — CID 722988

IUPAC(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCCc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,20,24H,2,12-17H2,1H3/t20-/m1/s1
InChIKeyYKVWVMYXYVXVLF-HXUWFJFHSA-N
MW340.47 g/mol
LogP2.81
Rot. Bonds7

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

(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 722988) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID722988
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCCc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,20,24H,2,12-17H2,1H3/t20-/m1/s1
InChIKeyYKVWVMYXYVXVLF-HXUWFJFHSA-N
XLogP2.81
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
CID 70254082
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
ethyl 4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzoate
CID 46664174
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 722988) is (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is CCc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is YKVWVMYXYVXVLF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-18-8-10-21(11-9-18)25-17-20(24)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,20,24H,2,12-17H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 340.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 722988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).