N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid

C27H38N2O4 — CID 11224812

IUPACN-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid
SMILESCCCCNC1CCN(CCCC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C25H36N2.C2H2O4/c1-2-3-18-26-24-16-20-27(21-17-24)19-10-15-25(22-11-6-4-7-12-22)23-13-8-5-9-14-23;3-1(4)2(5)6/h4-9,11-14,24-26H,2-3,10,15-21H2,1H3;(H,3,4)(H,5,6)
InChIKeyKDOHABDPFWZYQX-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.61
Rot. Bonds10

About N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid

N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid (PubChem CID 11224812) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid.

Molecular Properties

Compound NameN-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid
PubChem CID11224812
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid
SMILESCCCCNC1CCN(CCCC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C25H36N2.C2H2O4/c1-2-3-18-26-24-16-20-27(21-17-24)19-10-15-25(22-11-6-4-7-12-22)23-13-8-5-9-14-23;3-1(4)2(5)6/h4-9,11-14,24-26H,2-3,10,15-21H2,1H3;(H,3,4)(H,5,6)
InChIKeyKDOHABDPFWZYQX-UHFFFAOYSA-N
XLogP4.61
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Prenylamine Lactate
CID 65557
1-Benzyl-4-(2-phenylpropyl)piperazine;oxalic acid
CID 23724195
Oxalic acid;1-(4-phenylcyclohexyl)-4-pyrrolidin-1-ylpiperidine
CID 2911895
CID 6604472
CID 6604472
N-benzhydryl-2-(2-methylpiperidin-1-yl)acetamide;oxalic acid
CID 16189489
Oxalic acid;1-phenyl-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 16248651
oxalic acid;1-[(E)-3-phenylprop-2-enyl]-4-(2-phenylpropyl)piperazine
CID 23724167
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
CID 23724284
N-benzyl-1-cyclopentyl-N-(2-phenylethyl)-4-piperidinamine oxalate
CID 2911426
N-benzhydryl-2-(3,5-dimethylpiperidin-1-yl)acetamide;oxalic acid
CID 16189756
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
CID 23724208
Oxalic acid;1-(2-phenylpropyl)piperidine
CID 23724331

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid?
The IUPAC name of N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid (CID 11224812) is N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid.
What is the SMILES notation for N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid?
The canonical SMILES for N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid is CCCCNC1CCN(CCCC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid?
The InChIKey is KDOHABDPFWZYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2.C2H2O4/c1-2-3-18-26-24-16-20-27(21-17-24)19-10-15-25(22-11-6-4-7-12-22)23-13-8-5-9-14-23;3-1(4)2(5)6/h4-9,11-14,24-26H,2-3,10,15-21H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid?
N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid has a molecular weight of 454.61 g/mol, XLogP of 4.61, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4,4-diphenylbutyl)piperidin-4-amine;oxalic acid is sourced from PubChem (CID 11224812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).