diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid

C34H35NO6 — CID 163328691

IUPACdiphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid
SMILESO=C(O)C(=O)O.OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C32H33NO2.C2H2O4/c34-32(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-19-21-33(22-20-30)24-27-13-10-18-31(23-27)35-25-26-11-4-1-5-12-26;3-1(4)2(5)6/h1-18,23,30,34H,19-22,24-25H2;(H,3,4)(H,5,6)
InChIKeyXRQQGDIJSBXYRY-UHFFFAOYSA-N
MW553.66 g/mol
LogP5.57
Rot. Bonds8

About diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid

diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid (PubChem CID 163328691) has the molecular formula C34H35NO6 and a molecular weight of 553.66 g/mol. Its IUPAC name is diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid.

Molecular Properties

Compound Namediphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid
PubChem CID163328691
Molecular FormulaC34H35NO6
Molecular Weight553.66 g/mol
Exact Mass553.25
IUPAC Namediphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid
SMILESO=C(O)C(=O)O.OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C32H33NO2.C2H2O4/c34-32(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-19-21-33(22-20-30)24-27-13-10-18-31(23-27)35-25-26-11-4-1-5-12-26;3-1(4)2(5)6/h1-18,23,30,34H,19-22,24-25H2;(H,3,4)(H,5,6)
InChIKeyXRQQGDIJSBXYRY-UHFFFAOYSA-N
XLogP5.57
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.66
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 118717670
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076504
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
N-benzyl-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076502
N-[2-(diethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3995388
N-benzyl-N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328501
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid?
The IUPAC name of diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid (CID 163328691) is diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid.
What is the SMILES notation for diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid?
The canonical SMILES for diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid is O=C(O)C(=O)O.OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid?
The InChIKey is XRQQGDIJSBXYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO2.C2H2O4/c34-32(28-14-6-2-7-15-28,29-16-8-3-9-17-29)30-19-21-33(22-20-30)24-27-13-10-18-31(23-27)35-25-26-11-4-1-5-12-26;3-1(4)2(5)6/h1-18,23,30,34H,19-22,24-25H2;(H,3,4)(H,5,6).
What are the key properties of diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid?
diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid has a molecular weight of 553.66 g/mol, XLogP of 5.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid is sourced from PubChem (CID 163328691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).