ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane

C34H49F2N3 — CID 143708365

IUPACethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane
SMILESC=CN.CC.CCC.Fc1ccc(-c2ccc(CCc3cc(F)cc(CCCN4CCCCC4)c3)nc2)cc1
InChIInChI=1S/C27H30F2N2.C3H8.C2H5N.C2H6/c28-25-10-7-23(8-11-25)24-9-13-27(30-20-24)12-6-22-17-21(18-26(29)19-22)5-4-16-31-14-2-1-3-15-31;1-3-2;1-2-3;1-2/h7-11,13,17-20H,1-6,12,14-16H2;3H2,1-2H3;2H,1,3H2;1-2H3
InChIKeyDUSHAOFADVDQLC-UHFFFAOYSA-N
MW537.78 g/mol
LogP8.76
Rot. Bonds8

About ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane

ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane (PubChem CID 143708365) has the molecular formula C34H49F2N3 and a molecular weight of 537.78 g/mol. Its IUPAC name is ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane.

Molecular Properties

Compound Nameethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane
PubChem CID143708365
Molecular FormulaC34H49F2N3
Molecular Weight537.78 g/mol
Exact Mass537.39
IUPAC Nameethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane
SMILESC=CN.CC.CCC.Fc1ccc(-c2ccc(CCc3cc(F)cc(CCCN4CCCCC4)c3)nc2)cc1
InChIInChI=1S/C27H30F2N2.C3H8.C2H5N.C2H6/c28-25-10-7-23(8-11-25)24-9-13-27(30-20-24)12-6-22-17-21(18-26(29)19-22)5-4-16-31-14-2-1-3-15-31;1-3-2;1-2-3;1-2/h7-11,13,17-20H,1-6,12,14-16H2;3H2,1-2H3;2H,1,3H2;1-2H3
InChIKeyDUSHAOFADVDQLC-UHFFFAOYSA-N
XLogP8.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.78
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 154654076
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
5-(4-fluorophenyl)-2-(2-pyridin-3-ylethyl)pyridine
CID 57217721
1-[3-(3-ethenyl-4-fluorophenyl)propyl]pyrrolidine
CID 155420212
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
CID 11504134
N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide
CID 59000676
5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine
CID 173211366
1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine
CID 59543440
ethane;2-[4-(4-fluorophenyl)phenyl]-2-oxoacetamide;1-[3-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propyl]pyrrolidine
CID 144811434
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 157275894

Frequently Asked Questions

What is the IUPAC name of ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane?
The IUPAC name of ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane (CID 143708365) is ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane.
What is the SMILES notation for ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane?
The canonical SMILES for ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane is C=CN.CC.CCC.Fc1ccc(-c2ccc(CCc3cc(F)cc(CCCN4CCCCC4)c3)nc2)cc1.
What is the InChIKey of ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane?
The InChIKey is DUSHAOFADVDQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2.C3H8.C2H5N.C2H6/c28-25-10-7-23(8-11-25)24-9-13-27(30-20-24)12-6-22-17-21(18-26(29)19-22)5-4-16-31-14-2-1-3-15-31;1-3-2;1-2-3;1-2/h7-11,13,17-20H,1-6,12,14-16H2;3H2,1-2H3;2H,1,3H2;1-2H3.
What are the key properties of ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane?
ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane has a molecular weight of 537.78 g/mol, XLogP of 8.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenamine;5-(4-fluorophenyl)-2-[2-[3-fluoro-5-(3-piperidin-1-ylpropyl)phenyl]ethyl]pyridine;propane is sourced from PubChem (CID 143708365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).