(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol

C27H32N2O2 — CID 7746132

IUPAC(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
SMILESO[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H32N2O2/c30-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)22-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2/t26-/m1/s1
InChIKeyHQTANMYTJJULQY-AREMUKBSSA-N
MW416.57 g/mol
LogP3.97
Rot. Bonds9

About (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol

(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol (PubChem CID 7746132) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
PubChem CID7746132
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
SMILESO[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H32N2O2/c30-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)22-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2/t26-/m1/s1
InChIKeyHQTANMYTJJULQY-AREMUKBSSA-N
XLogP3.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[bis(4-chlorophenyl)methoxy]propan-2-ol
CID 98291992
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 171484955
(2S)-1-(4-benzylpiperazin-1-yl)-3-prop-2-ynoxypropan-2-ol
CID 29124487
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 1109343

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol (CID 7746132) is (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol is O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol?
The InChIKey is HQTANMYTJJULQY-AREMUKBSSA-N. The full InChI is InChI=1S/C27H32N2O2/c30-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)22-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2/t26-/m1/s1.
What are the key properties of (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol?
(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol has a molecular weight of 416.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 7746132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).