(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

C23H32N2O2 — CID 1177221

IUPAC(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N2O2/c1-23(2,3)19-9-11-22(12-10-19)27-18-21(26)17-24-13-15-25(16-14-24)20-7-5-4-6-8-20/h4-12,21,26H,13-18H2,1-3H3/t21-/m0/s1
InChIKeyZLTZPHKCSHMOCY-NRFANRHFSA-N
MW368.52 g/mol
LogP3.55
Rot. Bonds6

About (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 1177221) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID1177221
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N2O2/c1-23(2,3)19-9-11-22(12-10-19)27-18-21(26)17-24-13-15-25(16-14-24)20-7-5-4-6-8-20/h4-12,21,26H,13-18H2,1-3H3/t21-/m0/s1
InChIKeyZLTZPHKCSHMOCY-NRFANRHFSA-N
XLogP3.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol with MolForge

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Related Compounds

(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
2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 29404375
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 34065761
1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol;dihydrochloride
CID 2867039
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770611
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 1177221) is (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is ZLTZPHKCSHMOCY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-23(2,3)19-9-11-22(12-10-19)27-18-21(26)17-24-13-15-25(16-14-24)20-7-5-4-6-8-20/h4-12,21,26H,13-18H2,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 368.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 1177221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).