3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid

C18H20N2O3 — CID 23121971

IUPAC3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC(C(O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20N2O3/c21-17(22)20-12-11-19-16(13-20)18(23,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19,23H,11-13H2,(H,21,22)
InChIKeyGSOZOOAFRJTNMO-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.87
Rot. Bonds3

About 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid

3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid (PubChem CID 23121971) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid
PubChem CID23121971
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC(C(O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20N2O3/c21-17(22)20-12-11-19-16(13-20)18(23,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19,23H,11-13H2,(H,21,22)
InChIKeyGSOZOOAFRJTNMO-UHFFFAOYSA-N
XLogP1.87
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid
CID 174846215
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 119577501
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
CID 138393439
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol
CID 3064310
benzene;chloromethane;(3S)-3-(hydroxymethyl)piperazine-1-carboxylic acid
CID 174567901
3-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride
CID 68992539
(3S)-piperazine-1,3-dicarboxylic acid
CID 68637111
diphenyl(pyrazolidin-3-yl)methanol
CID 78349826
4-(2-hydroxy-2,2-diphenylacetyl)piperazin-2-one
CID 110878709
(2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate
CID 175011693

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid?
The IUPAC name of 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid (CID 23121971) is 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid is O=C(O)N1CCNC(C(O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid?
The InChIKey is GSOZOOAFRJTNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(22)20-12-11-19-16(13-20)18(23,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19,23H,11-13H2,(H,21,22).
What are the key properties of 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid?
3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 23121971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).