diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol

C32H34N2O2 — CID 51003630

IUPACdiphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C32H34N2O2/c35-32(28-10-3-1-4-11-28,29-12-5-2-6-13-29)30-18-22-34(23-19-30)21-8-24-36-31-16-14-26(15-17-31)27-9-7-20-33-25-27/h1-7,9-17,20,25,30,35H,8,18-19,21-24H2
InChIKeyFJYSSTAWAPUYHM-UHFFFAOYSA-N
MW478.64 g/mol
LogP6.17
Rot. Bonds9

About diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol

diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol (PubChem CID 51003630) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Namediphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol
PubChem CID51003630
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Namediphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C32H34N2O2/c35-32(28-10-3-1-4-11-28,29-12-5-2-6-13-29)30-18-22-34(23-19-30)21-8-24-36-31-16-14-26(15-17-31)27-9-7-20-33-25-27/h1-7,9-17,20,25,30,35H,8,18-19,21-24H2
InChIKeyFJYSSTAWAPUYHM-UHFFFAOYSA-N
XLogP6.17
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 44907120
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol;2,2,2-trifluoroacetic acid
CID 53300854
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403
[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 139814217
methyl 3-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzoate
CID 51049667
4-tert-butylphenol;[1-[3-(4-tert-butylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl 4-methylbenzenesulfonate
CID 160612370
4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzonitrile
CID 14407100
(E)-N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 15616538
[1-[3-(4-bromo-3-methylphenoxy)propyl]piperidin-4-yl]-diphenylmethanol;2,2,2-trifluoroacetic acid
CID 53300859
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
methyl 3-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzoate;2,2,2-trifluoroacetic acid
CID 53300849
5-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]pyridine-2-carbonitrile
CID 86582431

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol?
The IUPAC name of diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol (CID 51003630) is diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol.
What is the SMILES notation for diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol?
The canonical SMILES for diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol is OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3cccnc3)cc2)CC1.
What is the InChIKey of diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol?
The InChIKey is FJYSSTAWAPUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c35-32(28-10-3-1-4-11-28,29-12-5-2-6-13-29)30-18-22-34(23-19-30)21-8-24-36-31-16-14-26(15-17-31)27-9-7-20-33-25-27/h1-7,9-17,20,25,30,35H,8,18-19,21-24H2.
What are the key properties of diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol?
diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol has a molecular weight of 478.64 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-[3-(4-pyridin-3-ylphenoxy)propyl]piperidin-4-yl]methanol is sourced from PubChem (CID 51003630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).