1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid

C24H33N3O5 — CID 66608253

IUPAC1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(C2CCN(CCOc3ccn(C4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C22H31N3O.C2H2O4/c1-3-7-19(8-4-1)20-11-14-24(15-12-20)17-18-26-22-13-16-25(23-22)21-9-5-2-6-10-21;3-1(4)2(5)6/h1,3-4,7-8,13,16,20-21H,2,5-6,9-12,14-15,17-18H2;(H,3,4)(H,5,6)
InChIKeyVJWIVVPZHPXARQ-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.80
Rot. Bonds6

About 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid

1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid (PubChem CID 66608253) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid.

Molecular Properties

Compound Name1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid
PubChem CID66608253
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(C2CCN(CCOc3ccn(C4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C22H31N3O.C2H2O4/c1-3-7-19(8-4-1)20-11-14-24(15-12-20)17-18-26-22-13-16-25(23-22)21-9-5-2-6-10-21;3-1(4)2(5)6/h1,3-4,7-8,13,16,20-21H,2,5-6,9-12,14-15,17-18H2;(H,3,4)(H,5,6)
InChIKeyVJWIVVPZHPXARQ-UHFFFAOYSA-N
XLogP3.80
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.80
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-[4-[4-(1-cyclohexylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone;oxalic acid
CID 66608731
1-cyclopentyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazole-3-carboxamide
CID 35535566
1-[2-(4-phenylazepan-1-yl)ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 171321226
oxalic acid;2-(4-phenylpiperidin-1-yl)ethyl 2,3-dihydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
CID 70620129
1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea
CID 26434990
bis((Z)-but-2-enedioic acid);2-[4-(4-cyclohexylpiperazin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71711950
1-[1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidin-4-yl]ethanone;oxalic acid
CID 24743740
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
CID 71711797
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
methyl 2-(1-cyclopropylpyrazol-3-yl)oxyacetate
CID 126662388

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid?
The IUPAC name of 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid (CID 66608253) is 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid.
What is the SMILES notation for 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid?
The canonical SMILES for 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid is O=C(O)C(=O)O.c1ccc(C2CCN(CCOc3ccn(C4CCCCC4)n3)CC2)cc1.
What is the InChIKey of 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid?
The InChIKey is VJWIVVPZHPXARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O.C2H2O4/c1-3-7-19(8-4-1)20-11-14-24(15-12-20)17-18-26-22-13-16-25(23-22)21-9-5-2-6-10-21;3-1(4)2(5)6/h1,3-4,7-8,13,16,20-21H,2,5-6,9-12,14-15,17-18H2;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid?
1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid has a molecular weight of 443.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclohexylpyrazol-3-yl)oxyethyl]-4-phenylpiperidine;oxalic acid is sourced from PubChem (CID 66608253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).