1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid

C28H33N3O4 — CID 17369313

IUPAC1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(N2CCN(C3CCN(Cc4cccc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C26H31N3.C2H2O4/c1-2-10-24(11-3-1)28-17-19-29(20-18-28)25-13-15-27(16-14-25)21-23-9-6-8-22-7-4-5-12-26(22)23;3-1(4)2(5)6/h1-12,25H,13-21H2;(H,3,4)(H,5,6)
InChIKeyRFOHCZNHSLTQGS-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.78
Rot. Bonds4

About 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid

1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid (PubChem CID 17369313) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
PubChem CID17369313
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(N2CCN(C3CCN(Cc4cccc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C26H31N3.C2H2O4/c1-2-10-24(11-3-1)28-17-19-29(20-18-28)25-13-15-27(16-14-25)21-23-9-6-8-22-7-4-5-12-26(22)23;3-1(4)2(5)6/h1-12,25H,13-21H2;(H,3,4)(H,5,6)
InChIKeyRFOHCZNHSLTQGS-UHFFFAOYSA-N
XLogP3.78
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369209
4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
CID 2911508
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369760
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
CID 90483361
oxalic acid;1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine
CID 90484045
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849804
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 2903793
7-chloro-4-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoline;hydrochloride
CID 46852980

Frequently Asked Questions

What is the IUPAC name of 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid?
The IUPAC name of 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid (CID 17369313) is 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid.
What is the SMILES notation for 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid?
The canonical SMILES for 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid is O=C(O)C(=O)O.c1ccc(N2CCN(C3CCN(Cc4cccc5ccccc45)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid?
The InChIKey is RFOHCZNHSLTQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3.C2H2O4/c1-2-10-24(11-3-1)28-17-19-29(20-18-28)25-13-15-27(16-14-25)21-23-9-6-8-22-7-4-5-12-26(22)23;3-1(4)2(5)6/h1-12,25H,13-21H2;(H,3,4)(H,5,6).
What are the key properties of 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid?
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid has a molecular weight of 475.59 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid is sourced from PubChem (CID 17369313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).