oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine

C23H34N2O4 — CID 2911895

IUPACoxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine
SMILESO=C(O)C(=O)O.c1ccc(C2CCC(N3CCC(N4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C21H32N2.C2H2O4/c1-2-6-18(7-3-1)19-8-10-20(11-9-19)23-16-12-21(13-17-23)22-14-4-5-15-22;3-1(4)2(5)6/h1-3,6-7,19-21H,4-5,8-17H2;(H,3,4)(H,5,6)
InChIKeyCLHQDPHIVCIJAE-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.43
Rot. Bonds3

About oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine

oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine (PubChem CID 2911895) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Nameoxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine
PubChem CID2911895
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nameoxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine
SMILESO=C(O)C(=O)O.c1ccc(C2CCC(N3CCC(N4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C21H32N2.C2H2O4/c1-2-6-18(7-3-1)19-8-10-20(11-9-19)23-16-12-21(13-17-23)22-14-4-5-15-22;3-1(4)2(5)6/h1-3,6-7,19-21H,4-5,8-17H2;(H,3,4)(H,5,6)
InChIKeyCLHQDPHIVCIJAE-UHFFFAOYSA-N
XLogP3.43
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine
CID 23724167
6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate
CID 3045745
6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-phenylethyl)-, (+-)-, ethanedioate
CID 3045747
N-benzyl-1-cyclopentyl-N-(2-phenylethyl)-4-piperidinamine oxalate
CID 2911426
Oxalic acid;1-(2-phenylpropyl)piperidine
CID 23724331
4-(4-Benzylphenyl)-1-methylpiperidine;oxalic acid
CID 90674648
Piperazine, 1-(3-(2-benzylinden-3-yl)propyl)-4-methyl-, oxalate (1:2)
CID 203660
6-(Cyclopropylmethyl)-1-phenyl-6-azabicyclo[3.2.1]octane;oxalic acid
CID 3045873
N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid
CID 11224812
1-Methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
3-Methyl-1-phenyl-3-azabicyclo[3.1.0]hexane;oxalic acid
CID 46907275
4-(3-Benzylphenyl)-1-methylpiperidine;oxalic acid
CID 90674647

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine (CID 2911895) is oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine is O=C(O)C(=O)O.c1ccc(C2CCC(N3CCC(N4CCCC4)CC3)CC2)cc1.
What is the InChIKey of oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine?
The InChIKey is CLHQDPHIVCIJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2.C2H2O4/c1-2-6-18(7-3-1)19-8-10-20(11-9-19)23-16-12-21(13-17-23)22-14-4-5-15-22;3-1(4)2(5)6/h1-3,6-7,19-21H,4-5,8-17H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine?
oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine has a molecular weight of 402.54 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 2911895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).