3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol

C96H129BrClF2N13O10 — CID 158310975

IUPAC3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol
SMILESCCOCC1CNCC(COc2ccccc2)C1.Clc1ccc(OCC2CNCC(COc3ccc(Br)cc3)C2)cc1.NCC1CNCC(COc2ccccc2)C1.OC(CC1CNCC(OCc2cccnc2)C1)c1cccnc1.OCC1CNCC(COc2cccnc2)C1(F)F.c1ccc(CCOCC2CNCC(CCc3cnccn3)C2)nc1
InChIInChI=1S/C19H21BrClNO2.C19H26N4O.C18H23N3O2.C15H23NO2.C13H20N2O.C12H16F2N2O2/c20-16-1-5-18(6-2-16)23-12-14-9-15(11-22-10-14)13-24-19-7-3-17(21)4-8-19;1-2-7-22-18(3-1)6-10-24-15-17-11-16(12-21-13-17)4-5-19-14-20-8-9-23-19;22-18(16-4-2-6-20-11-16)8-15-7-17(12-21-10-15)23-13-14-3-1-5-19-9-14;1-2-17-11-13-8-14(10-16-9-13)12-18-15-6-4-3-5-7-15;14-7-11-6-12(9-15-8-11)10-16-13-4-2-1-3-5-13;13-12(14)9(7-17)4-16-5-10(12)8-18-11-2-1-3-15-6-11/h1-8,14-15,22H,9-13H2;1-3,7-9,14,16-17,21H,4-6,10-13,15H2;1-6,9,11,15,17-18,21-22H,7-8,10,12-13H2;3-7,13-14,16H,2,8-12H2,1H3;1-5,11-12,15H,6-10,14H2;1-3,6,9-10,16-17H,4-5,7-8H2
InChIKeyGNRFKDMKJQYSDN-UHFFFAOYSA-N
MW1778.52 g/mol
LogP13.67
Rot. Bonds34

About 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol

3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol (PubChem CID 158310975) has the molecular formula C96H129BrClF2N13O10 and a molecular weight of 1778.52 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol
PubChem CID158310975
Molecular FormulaC96H129BrClF2N13O10
Molecular Weight1778.52 g/mol
Exact Mass1775.88
IUPAC Name3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol
SMILESCCOCC1CNCC(COc2ccccc2)C1.Clc1ccc(OCC2CNCC(COc3ccc(Br)cc3)C2)cc1.NCC1CNCC(COc2ccccc2)C1.OC(CC1CNCC(OCc2cccnc2)C1)c1cccnc1.OCC1CNCC(COc2cccnc2)C1(F)F.c1ccc(CCOCC2CNCC(CCc3cnccn3)C2)nc1
InChIInChI=1S/C19H21BrClNO2.C19H26N4O.C18H23N3O2.C15H23NO2.C13H20N2O.C12H16F2N2O2/c20-16-1-5-18(6-2-16)23-12-14-9-15(11-22-10-14)13-24-19-7-3-17(21)4-8-19;1-2-7-22-18(3-1)6-10-24-15-17-11-16(12-21-13-17)4-5-19-14-20-8-9-23-19;22-18(16-4-2-6-20-11-16)8-15-7-17(12-21-10-15)23-13-14-3-1-5-19-9-14;1-2-17-11-13-8-14(10-16-9-13)12-18-15-6-4-3-5-7-15;14-7-11-6-12(9-15-8-11)10-16-13-4-2-1-3-5-13;13-12(14)9(7-17)4-16-5-10(12)8-18-11-2-1-3-15-6-11/h1-8,14-15,22H,9-13H2;1-3,7-9,14,16-17,21H,4-6,10-13,15H2;1-6,9,11,15,17-18,21-22H,7-8,10,12-13H2;3-7,13-14,16H,2,8-12H2,1H3;1-5,11-12,15H,6-10,14H2;1-3,6,9-10,16-17H,4-5,7-8H2
InChIKeyGNRFKDMKJQYSDN-UHFFFAOYSA-N
XLogP13.67
TPSA289.84 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001778.52
LogP ≤ 513.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(pyrrolidin-3-ylmethoxy)ethyl]pyridine
CID 62371245
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
CID 78937530
2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
CID 54970606
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
3-[2-(azetidin-3-yl)ethoxy]pyridine
CID 107391839
3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
CID 117241285
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
4-[5-(pyridin-3-ylmethoxymethyl)piperidin-3-yl]phenol
CID 10125535
3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
CID 54971173
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
3-[[(3R,4S)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidin-3-yl]methoxy]pyridine
CID 126676929

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol (CID 158310975) is 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol is CCOCC1CNCC(COc2ccccc2)C1.Clc1ccc(OCC2CNCC(COc3ccc(Br)cc3)C2)cc1.NCC1CNCC(COc2ccccc2)C1.OC(CC1CNCC(OCc2cccnc2)C1)c1cccnc1.OCC1CNCC(COc2cccnc2)C1(F)F.c1ccc(CCOCC2CNCC(CCc3cnccn3)C2)nc1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol?
The InChIKey is GNRFKDMKJQYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO2.C19H26N4O.C18H23N3O2.C15H23NO2.C13H20N2O.C12H16F2N2O2/c20-16-1-5-18(6-2-16)23-12-14-9-15(11-22-10-14)13-24-19-7-3-17(21)4-8-19;1-2-7-22-18(3-1)6-10-24-15-17-11-16(12-21-13-17)4-5-19-14-20-8-9-23-19;22-18(16-4-2-6-20-11-16)8-15-7-17(12-21-10-15)23-13-14-3-1-5-19-9-14;1-2-17-11-13-8-14(10-16-9-13)12-18-15-6-4-3-5-7-15;14-7-11-6-12(9-15-8-11)10-16-13-4-2-1-3-5-13;13-12(14)9(7-17)4-16-5-10(12)8-18-11-2-1-3-15-6-11/h1-8,14-15,22H,9-13H2;1-3,7-9,14,16-17,21H,4-6,10-13,15H2;1-6,9,11,15,17-18,21-22H,7-8,10,12-13H2;3-7,13-14,16H,2,8-12H2,1H3;1-5,11-12,15H,6-10,14H2;1-3,6,9-10,16-17H,4-5,7-8H2.
What are the key properties of 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol?
3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol has a molecular weight of 1778.52 g/mol, XLogP of 13.67, 34 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-5-[(4-chlorophenoxy)methyl]piperidine;[4,4-difluoro-5-(pyridin-3-yloxymethyl)piperidin-3-yl]methanol;3-(ethoxymethyl)-5-(phenoxymethyl)piperidine;[5-(phenoxymethyl)piperidin-3-yl]methanamine;2-[2-[5-(2-pyridin-2-ylethoxymethyl)piperidin-3-yl]ethyl]pyrazine;1-pyridin-3-yl-2-[5-(pyridin-3-ylmethoxy)piperidin-3-yl]ethanol is sourced from PubChem (CID 158310975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).