1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine

C121H178N14O12 — CID 173161044

IUPAC1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine
SMILESCC(C)N1CC(COc2ccc(C3(CNc4ccccn4)CCOCC3)cc2)C1.CC(C)N1CCC(Oc2ccc(C3(CN4CCOCC4)CCOCC3)cc2)CC1.CC(C)N1CCC(Oc2ccc(C3(CNc4ccnnc4)CCOCC3)cc2)CC1.COCCN1CCN(CC2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)CC1.c1ccc(C2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)nc1
InChIInChI=1S/C26H43N3O3.C24H34N4O2.C24H33N3O2.C24H38N2O3.C23H30N2O2/c1-30-22-18-28-14-16-29(17-15-28)23-26(9-20-31-21-10-26)24-5-7-25(8-6-24)32-19-4-13-27-11-2-3-12-27;1-19(2)28-13-8-23(9-14-28)30-22-5-3-20(4-6-22)24(10-15-29-16-11-24)18-25-21-7-12-26-27-17-21;1-19(2)27-15-20(16-27)17-29-22-8-6-21(7-9-22)24(10-13-28-14-11-24)18-26-23-5-3-4-12-25-23;1-20(2)26-11-7-23(8-12-26)29-22-5-3-21(4-6-22)24(9-15-27-16-10-24)19-25-13-17-28-18-14-25;1-2-13-24-22(6-1)23(11-18-26-19-12-23)20-7-9-21(10-8-20)27-17-5-16-25-14-3-4-15-25/h5-8H,2-4,9-23H2,1H3;3-7,12,17,19,23H,8-11,13-16,18H2,1-2H3,(H,25,26);3-9,12,19-20H,10-11,13-18H2,1-2H3,(H,25,26);3-6,20,23H,7-19H2,1-2H3;1-2,6-10,13H,3-5,11-12,14-19H2
InChIKeyPMEOINKRBSGVCC-UHFFFAOYSA-N
MW2020.84 g/mol
LogP18.07
Rot. Bonds39

About 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine

1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine (PubChem CID 173161044) has the molecular formula C121H178N14O12 and a molecular weight of 2020.84 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine
PubChem CID173161044
Molecular FormulaC121H178N14O12
Molecular Weight2020.84 g/mol
Exact Mass2019.37
IUPAC Name1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine
SMILESCC(C)N1CC(COc2ccc(C3(CNc4ccccn4)CCOCC3)cc2)C1.CC(C)N1CCC(Oc2ccc(C3(CN4CCOCC4)CCOCC3)cc2)CC1.CC(C)N1CCC(Oc2ccc(C3(CNc4ccnnc4)CCOCC3)cc2)CC1.COCCN1CCN(CC2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)CC1.c1ccc(C2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)nc1
InChIInChI=1S/C26H43N3O3.C24H34N4O2.C24H33N3O2.C24H38N2O3.C23H30N2O2/c1-30-22-18-28-14-16-29(17-15-28)23-26(9-20-31-21-10-26)24-5-7-25(8-6-24)32-19-4-13-27-11-2-3-12-27;1-19(2)28-13-8-23(9-14-28)30-22-5-3-20(4-6-22)24(10-15-29-16-11-24)18-25-21-7-12-26-27-17-21;1-19(2)27-15-20(16-27)17-29-22-8-6-21(7-9-22)24(10-13-28-14-11-24)18-26-23-5-3-4-12-25-23;1-20(2)26-11-7-23(8-12-26)29-22-5-3-21(4-6-22)24(9-15-27-16-10-24)19-25-13-17-28-18-14-25;1-2-13-24-22(6-1)23(11-18-26-19-12-23)20-7-9-21(10-8-20)27-17-5-16-25-14-3-4-15-25/h5-8H,2-4,9-23H2,1H3;3-7,12,17,19,23H,8-11,13-16,18H2,1-2H3,(H,25,26);3-9,12,19-20H,10-11,13-18H2,1-2H3,(H,25,26);3-6,20,23H,7-19H2,1-2H3;1-2,6-10,13H,3-5,11-12,14-19H2
InChIKeyPMEOINKRBSGVCC-UHFFFAOYSA-N
XLogP18.07
TPSA212.30 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.84
LogP ≤ 518.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine?
The IUPAC name of 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine (CID 173161044) is 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine is CC(C)N1CC(COc2ccc(C3(CNc4ccccn4)CCOCC3)cc2)C1.CC(C)N1CCC(Oc2ccc(C3(CN4CCOCC4)CCOCC3)cc2)CC1.CC(C)N1CCC(Oc2ccc(C3(CNc4ccnnc4)CCOCC3)cc2)CC1.COCCN1CCN(CC2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)CC1.c1ccc(C2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)nc1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine?
The InChIKey is PMEOINKRBSGVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3.C24H34N4O2.C24H33N3O2.C24H38N2O3.C23H30N2O2/c1-30-22-18-28-14-16-29(17-15-28)23-26(9-20-31-21-10-26)24-5-7-25(8-6-24)32-19-4-13-27-11-2-3-12-27;1-19(2)28-13-8-23(9-14-28)30-22-5-3-20(4-6-22)24(10-15-29-16-11-24)18-25-21-7-12-26-27-17-21;1-19(2)27-15-20(16-27)17-29-22-8-6-21(7-9-22)24(10-13-28-14-11-24)18-26-23-5-3-4-12-25-23;1-20(2)26-11-7-23(8-12-26)29-22-5-3-21(4-6-22)24(9-15-27-16-10-24)19-25-13-17-28-18-14-25;1-2-13-24-22(6-1)23(11-18-26-19-12-23)20-7-9-21(10-8-20)27-17-5-16-25-14-3-4-15-25/h5-8H,2-4,9-23H2,1H3;3-7,12,17,19,23H,8-11,13-16,18H2,1-2H3,(H,25,26);3-9,12,19-20H,10-11,13-18H2,1-2H3,(H,25,26);3-6,20,23H,7-19H2,1-2H3;1-2,6-10,13H,3-5,11-12,14-19H2.
What are the key properties of 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine?
1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine has a molecular weight of 2020.84 g/mol, XLogP of 18.07, 39 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine;N-[[4-[4-[(1-propan-2-ylazetidin-3-yl)methoxy]phenyl]oxan-4-yl]methyl]pyridin-2-amine;4-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]morpholine;N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridazin-4-amine;2-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]pyridine is sourced from PubChem (CID 173161044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).