4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid

C19H22N2O2 — CID 69459100

IUPAC4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2O2/c22-19(23)21-14-12-20(13-15-21)11-10-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,22,23)
InChIKeyUTSKAPJQSHYGEC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.19
Rot. Bonds4

About 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid

4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid (PubChem CID 69459100) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid
PubChem CID69459100
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2O2/c22-19(23)21-14-12-20(13-15-21)11-10-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,22,23)
InChIKeyUTSKAPJQSHYGEC-UHFFFAOYSA-N
XLogP3.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-chlorophenyl)butyl]piperazine-1-carboxylic acid
CID 69457869
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
10-[[4-[(4,7,10-tricarboxy-1,4,7,10-tetrazacyclododec-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 101418290
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875
4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazine-1-carboxylic acid
CID 67517173
2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 17145715
4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid
CID 69457440
3-[4-[2-(4-phenylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one;2,2,2-trifluoroacetic acid
CID 167791890
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid (CID 69459100) is 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(CCc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid?
The InChIKey is UTSKAPJQSHYGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(23)21-14-12-20(13-15-21)11-10-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,22,23).
What are the key properties of 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid?
4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69459100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).