1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid

C30H41N3O5 — CID 2911150

IUPAC1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(C2CCN(C3CCC(c4ccccc4)CC3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C28H39N3O.C2H2O4/c1-32-28-10-6-5-9-27(28)31-21-19-30(20-22-31)26-15-17-29(18-16-26)25-13-11-24(12-14-25)23-7-3-2-4-8-23;3-1(4)2(5)6/h2-10,24-26H,11-22H2,1H3;(H,3,4)(H,5,6)
InChIKeyHXPHSZWFSNDASM-UHFFFAOYSA-N
MW523.67 g/mol
LogP4.16
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid

1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid (PubChem CID 2911150) has the molecular formula C30H41N3O5 and a molecular weight of 523.67 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid
PubChem CID2911150
Molecular FormulaC30H41N3O5
Molecular Weight523.67 g/mol
Exact Mass523.30
IUPAC Name1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(C2CCN(C3CCC(c4ccccc4)CC3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C28H39N3O.C2H2O4/c1-32-28-10-6-5-9-27(28)31-21-19-30(20-22-31)26-15-17-29(18-16-26)25-13-11-24(12-14-25)23-7-3-2-4-8-23;3-1(4)2(5)6/h2-10,24-26H,11-22H2,1H3;(H,3,4)(H,5,6)
InChIKeyHXPHSZWFSNDASM-UHFFFAOYSA-N
XLogP4.16
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.67
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid (CID 2911150) is 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid is COc1ccccc1N1CCN(C2CCN(C3CCC(c4ccccc4)CC3)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid?
The InChIKey is HXPHSZWFSNDASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O.C2H2O4/c1-32-28-10-6-5-9-27(28)31-21-19-30(20-22-31)26-15-17-29(18-16-26)25-13-11-24(12-14-25)23-7-3-2-4-8-23;3-1(4)2(5)6/h2-10,24-26H,11-22H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid?
1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid has a molecular weight of 523.67 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine;oxalic acid is sourced from PubChem (CID 2911150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).