4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol

C28H34N2O2 — CID 24767780

IUPAC4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol
SMILESOC1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1
InChIInChI=1S/C28H34N2O2/c31-27-23-29(19-20-30(27)18-10-13-24-11-4-1-5-12-24)21-22-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-12,14-17,27-28,31H,10,13,18-23H2
InChIKeyNJJBXLIRABMKKE-UHFFFAOYSA-N
MW430.59 g/mol
LogP4.36
Rot. Bonds10

About 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol

4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol (PubChem CID 24767780) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol
PubChem CID24767780
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol
SMILESOC1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1
InChIInChI=1S/C28H34N2O2/c31-27-23-29(19-20-30(27)18-10-13-24-11-4-1-5-12-24)21-22-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-12,14-17,27-28,31H,10,13,18-23H2
InChIKeyNJJBXLIRABMKKE-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;sulfuric acid
CID 10239703
3-benzhydryloxypropylbenzene
CID 11255103
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine
CID 131880421
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
1-[4-(2-benzhydryloxyethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 10551204
1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine
CID 176945295
4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10507287

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol (CID 24767780) is 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol is OC1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol?
The InChIKey is NJJBXLIRABMKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c31-27-23-29(19-20-30(27)18-10-13-24-11-4-1-5-12-24)21-22-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-12,14-17,27-28,31H,10,13,18-23H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol?
4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol has a molecular weight of 430.59 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol is sourced from PubChem (CID 24767780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).