4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid

C21H24N2O3 — CID 173483918

IUPAC4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccc(C=CCOc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c24-21(25)23-14-12-22(13-15-23)17-19-10-8-18(9-11-19)5-4-16-26-20-6-2-1-3-7-20/h1-11H,12-17H2,(H,24,25)
InChIKeySVLTTYJZZALOTJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.57
Rot. Bonds6

About 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid

4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid (PubChem CID 173483918) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid
PubChem CID173483918
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccc(C=CCOc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c24-21(25)23-14-12-22(13-15-23)17-19-10-8-18(9-11-19)5-4-16-26-20-6-2-1-3-7-20/h1-11H,12-17H2,(H,24,25)
InChIKeySVLTTYJZZALOTJ-UHFFFAOYSA-N
XLogP3.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

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
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
oxalic acid;4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
CID 163327121
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxylic acid
CID 118040700
1-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 897622
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride
CID 67328696

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid (CID 173483918) is 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(Cc2ccc(C=CCOc3ccccc3)cc2)CC1.
What is the InChIKey of 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid?
The InChIKey is SVLTTYJZZALOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(25)23-14-12-22(13-15-23)17-19-10-8-18(9-11-19)5-4-16-26-20-6-2-1-3-7-20/h1-11H,12-17H2,(H,24,25).
What are the key properties of 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid?
4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 173483918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).