oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine

C22H28N2O5 — CID 2943786

IUPACoxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccc(OCCCCN3CCNCC3)cc2)cc1
InChIInChI=1S/C20H26N2O.C2H2O4/c1-2-6-18(7-3-1)19-8-10-20(11-9-19)23-17-5-4-14-22-15-12-21-13-16-22;3-1(4)2(5)6/h1-3,6-11,21H,4-5,12-17H2;(H,3,4)(H,5,6)
InChIKeyFODDTYNSQBVXKR-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.57
Rot. Bonds7

About oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine

oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine (PubChem CID 2943786) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine.

Molecular Properties

Compound Nameoxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
PubChem CID2943786
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Nameoxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccc(OCCCCN3CCNCC3)cc2)cc1
InChIInChI=1S/C20H26N2O.C2H2O4/c1-2-6-18(7-3-1)19-8-10-20(11-9-19)23-17-5-4-14-22-15-12-21-13-16-22;3-1(4)2(5)6/h1-3,6-11,21H,4-5,12-17H2;(H,3,4)(H,5,6)
InChIKeyFODDTYNSQBVXKR-UHFFFAOYSA-N
XLogP2.57
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148
1-(3-phenoxypropyl)piperazine
CID 2760351
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine?
The IUPAC name of oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine (CID 2943786) is oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine.
What is the SMILES notation for oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine?
The canonical SMILES for oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine is O=C(O)C(=O)O.c1ccc(-c2ccc(OCCCCN3CCNCC3)cc2)cc1.
What is the InChIKey of oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine?
The InChIKey is FODDTYNSQBVXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.C2H2O4/c1-2-6-18(7-3-1)19-8-10-20(11-9-19)23-17-5-4-14-22-15-12-21-13-16-22;3-1(4)2(5)6/h1-3,6-11,21H,4-5,12-17H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine?
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine has a molecular weight of 400.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine is sourced from PubChem (CID 2943786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).