4-(2-phenoxyphenyl)piperazine-1-carboxylic acid

C17H18N2O3 — CID 69365600

IUPAC4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C17H18N2O3/c20-17(21)19-12-10-18(11-13-19)15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,21)
InChIKeyNUOATYJQFLOJGD-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.28
Rot. Bonds3

About 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid

4-(2-phenoxyphenyl)piperazine-1-carboxylic acid (PubChem CID 69365600) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
PubChem CID69365600
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C17H18N2O3/c20-17(21)19-12-10-18(11-13-19)15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,21)
InChIKeyNUOATYJQFLOJGD-UHFFFAOYSA-N
XLogP3.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
CID 113080037
1-(2-phenoxyphenyl)piperazine
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CID 518097
4-(2-aminophenyl)piperazine-1-carboxylic acid
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N-methyl-1-(2-phenoxyphenyl)piperidin-4-amine
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3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21136388
4-[2-(4-ethoxy-4-oxobutoxy)phenyl]piperazine-1-carboxylic acid
CID 67053278
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265
[4-(2-pyrrolidin-1-ylphenoxy)phenyl]boronic acid
CID 168512778
4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
CID 18436761
[1-(2-phenoxyphenyl)pyrrolidin-3-yl]methanol
CID 64865616
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid (CID 69365600) is 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid?
The InChIKey is NUOATYJQFLOJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(21)19-12-10-18(11-13-19)15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,21).
What are the key properties of 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid?
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyphenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 69365600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).