oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine

C23H30N4O4 — CID 2912739

IUPACoxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
SMILESO=C(O)C(=O)O.c1ccc(N2CCN(C3CCN(Cc4ccccn4)CC3)CC2)cc1
InChIInChI=1S/C21H28N4.C2H2O4/c1-2-7-20(8-3-1)24-14-16-25(17-15-24)21-9-12-23(13-10-21)18-19-6-4-5-11-22-19;3-1(4)2(5)6/h1-8,11,21H,9-10,12-18H2;(H,3,4)(H,5,6)
InChIKeyCFOXJYDOSDAYNM-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.02
Rot. Bonds4

About oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine

oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine (PubChem CID 2912739) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Nameoxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
PubChem CID2912739
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nameoxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
SMILESO=C(O)C(=O)O.c1ccc(N2CCN(C3CCN(Cc4ccccn4)CC3)CC2)cc1
InChIInChI=1S/C21H28N4.C2H2O4/c1-2-7-20(8-3-1)24-14-16-25(17-15-24)21-9-12-23(13-10-21)18-19-6-4-5-11-22-19;3-1(4)2(5)6/h1-8,11,21H,9-10,12-18H2;(H,3,4)(H,5,6)
InChIKeyCFOXJYDOSDAYNM-UHFFFAOYSA-N
XLogP2.02
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369209
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369313
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369760
oxalic acid;1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine
CID 90484045
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine?
The IUPAC name of oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine (CID 2912739) is oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine.
What is the SMILES notation for oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine?
The canonical SMILES for oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine is O=C(O)C(=O)O.c1ccc(N2CCN(C3CCN(Cc4ccccn4)CC3)CC2)cc1.
What is the InChIKey of oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine?
The InChIKey is CFOXJYDOSDAYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4.C2H2O4/c1-2-7-20(8-3-1)24-14-16-25(17-15-24)21-9-12-23(13-10-21)18-19-6-4-5-11-22-19;3-1(4)2(5)6/h1-8,11,21H,9-10,12-18H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine?
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine has a molecular weight of 426.52 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine is sourced from PubChem (CID 2912739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).