2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine

C112H140F6N18O13 — CID 158524658

IUPAC2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine
SMILESCOc1cccc(OCC2CCN(Cc3nccnc3OC)CC2)c1.COc1nccnc1CN1CCC(COc2cc(F)ccc2F)CC1.COc1nccnc1CN1CCC(COc2cccc(C)c2)CC1.COc1nccnc1CN1CCC(COc2ccccc2C(F)(F)F)CC1.COc1nccnc1CN1CCC(COc2ccccc2C)CC1.COc1nccnc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C19H22F3N3O2.C19H25N3O3.2C19H25N3O2.C18H21F2N3O2.C18H22FN3O2/c1-26-18-16(23-8-9-24-18)12-25-10-6-14(7-11-25)13-27-17-5-3-2-4-15(17)19(20,21)22;1-23-16-4-3-5-17(12-16)25-14-15-6-10-22(11-7-15)13-18-19(24-2)21-9-8-20-18;1-15-4-3-5-17(12-15)24-14-16-6-10-22(11-7-16)13-18-19(23-2)21-9-8-20-18;1-15-5-3-4-6-18(15)24-14-16-7-11-22(12-8-16)13-17-19(23-2)21-10-9-20-17;1-24-18-16(21-6-7-22-18)11-23-8-4-13(5-9-23)12-25-17-10-14(19)2-3-15(17)20;1-23-18-16(20-8-9-21-18)12-22-10-6-14(7-11-22)13-24-17-5-3-2-4-15(17)19/h2-5,8-9,14H,6-7,10-13H2,1H3;3-5,8-9,12,15H,6-7,10-11,13-14H2,1-2H3;3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3;3-6,9-10,16H,7-8,11-14H2,1-2H3;2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3
InChIKeyHMQKAMZTTDBYJX-UHFFFAOYSA-N
MW2060.45 g/mol
LogP18.72
Rot. Bonds37

About 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine

2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine (PubChem CID 158524658) has the molecular formula C112H140F6N18O13 and a molecular weight of 2060.45 g/mol. Its IUPAC name is 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine
PubChem CID158524658
Molecular FormulaC112H140F6N18O13
Molecular Weight2060.45 g/mol
Exact Mass2059.08
IUPAC Name2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine
SMILESCOc1cccc(OCC2CCN(Cc3nccnc3OC)CC2)c1.COc1nccnc1CN1CCC(COc2cc(F)ccc2F)CC1.COc1nccnc1CN1CCC(COc2cccc(C)c2)CC1.COc1nccnc1CN1CCC(COc2ccccc2C(F)(F)F)CC1.COc1nccnc1CN1CCC(COc2ccccc2C)CC1.COc1nccnc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C19H22F3N3O2.C19H25N3O3.2C19H25N3O2.C18H21F2N3O2.C18H22FN3O2/c1-26-18-16(23-8-9-24-18)12-25-10-6-14(7-11-25)13-27-17-5-3-2-4-15(17)19(20,21)22;1-23-16-4-3-5-17(12-16)25-14-15-6-10-22(11-7-15)13-18-19(24-2)21-9-8-20-18;1-15-4-3-5-17(12-15)24-14-16-6-10-22(11-7-16)13-18-19(23-2)21-9-8-20-18;1-15-5-3-4-6-18(15)24-14-16-7-11-22(12-8-16)13-17-19(23-2)21-10-9-20-17;1-24-18-16(21-6-7-22-18)11-23-8-4-13(5-9-23)12-25-17-10-14(19)2-3-15(17)20;1-23-18-16(20-8-9-21-18)12-22-10-6-14(7-11-22)13-24-17-5-3-2-4-15(17)19/h2-5,8-9,14H,6-7,10-13H2,1H3;3-5,8-9,12,15H,6-7,10-11,13-14H2,1-2H3;3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3;3-6,9-10,16H,7-8,11-14H2,1-2H3;2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3
InChIKeyHMQKAMZTTDBYJX-UHFFFAOYSA-N
XLogP18.72
TPSA294.11 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002060.45
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine (CID 158524658) is 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine is COc1cccc(OCC2CCN(Cc3nccnc3OC)CC2)c1.COc1nccnc1CN1CCC(COc2cc(F)ccc2F)CC1.COc1nccnc1CN1CCC(COc2cccc(C)c2)CC1.COc1nccnc1CN1CCC(COc2ccccc2C(F)(F)F)CC1.COc1nccnc1CN1CCC(COc2ccccc2C)CC1.COc1nccnc1CN1CCC(COc2ccccc2F)CC1.
What is the InChIKey of 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine?
The InChIKey is HMQKAMZTTDBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2.C19H25N3O3.2C19H25N3O2.C18H21F2N3O2.C18H22FN3O2/c1-26-18-16(23-8-9-24-18)12-25-10-6-14(7-11-25)13-27-17-5-3-2-4-15(17)19(20,21)22;1-23-16-4-3-5-17(12-16)25-14-15-6-10-22(11-7-15)13-18-19(24-2)21-9-8-20-18;1-15-4-3-5-17(12-15)24-14-16-6-10-22(11-7-16)13-18-19(23-2)21-9-8-20-18;1-15-5-3-4-6-18(15)24-14-16-7-11-22(12-8-16)13-17-19(23-2)21-10-9-20-17;1-24-18-16(21-6-7-22-18)11-23-8-4-13(5-9-23)12-25-17-10-14(19)2-3-15(17)20;1-23-18-16(20-8-9-21-18)12-22-10-6-14(7-11-22)13-24-17-5-3-2-4-15(17)19/h2-5,8-9,14H,6-7,10-13H2,1H3;3-5,8-9,12,15H,6-7,10-11,13-14H2,1-2H3;3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3;3-6,9-10,16H,7-8,11-14H2,1-2H3;2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3.
What are the key properties of 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine?
2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine has a molecular weight of 2060.45 g/mol, XLogP of 18.72, 37 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 158524658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).