(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol

C28H34N2O2 — CID 10477812

IUPAC(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H34N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2/t27-/m0/s1
InChIKeyZZHKHRXDQLQSFW-MHZLTWQESA-N
MW430.59 g/mol
LogP4.01
Rot. Bonds10

About (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol

(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol (PubChem CID 10477812) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol
PubChem CID10477812
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H34N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2/t27-/m0/s1
InChIKeyZZHKHRXDQLQSFW-MHZLTWQESA-N
XLogP4.01
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol (CID 10477812) is (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol is O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol?
The InChIKey is ZZHKHRXDQLQSFW-MHZLTWQESA-N. The full InChI is InChI=1S/C28H34N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2/t27-/m0/s1.
What are the key properties of (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol?
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol has a molecular weight of 430.59 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 10477812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).