5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine

C28H35FN4O2 — CID 24752853

IUPAC5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine
SMILESCCOc1cc(CN2CCC(Nc3cnc(N)c(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1
InChIInChI=1S/C28H35FN4O2/c1-4-34-25-15-20(16-26(35-5-2)27(25)21-6-8-22(29)9-7-21)18-33-12-10-23(11-13-33)32-24-14-19(3)28(30)31-17-24/h6-9,14-17,23,32H,4-5,10-13,18H2,1-3H3,(H2,30,31)
InChIKeyRAZCITOVRMPMDH-UHFFFAOYSA-N
MW478.61 g/mol
LogP5.65
Rot. Bonds9

About 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine

5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine (PubChem CID 24752853) has the molecular formula C28H35FN4O2 and a molecular weight of 478.61 g/mol. Its IUPAC name is 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine
PubChem CID24752853
Molecular FormulaC28H35FN4O2
Molecular Weight478.61 g/mol
Exact Mass478.27
IUPAC Name5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine
SMILESCCOc1cc(CN2CCC(Nc3cnc(N)c(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1
InChIInChI=1S/C28H35FN4O2/c1-4-34-25-15-20(16-26(35-5-2)27(25)21-6-8-22(29)9-7-21)18-33-12-10-23(11-13-33)32-24-14-19(3)28(30)31-17-24/h6-9,14-17,23,32H,4-5,10-13,18H2,1-3H3,(H2,30,31)
InChIKeyRAZCITOVRMPMDH-UHFFFAOYSA-N
XLogP5.65
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine with MolForge

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Related Compounds

methyl 5-[[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67400938
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)-1,3-oxazol-2-amine
CID 25133349
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
tert-butyl N-[[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]methyl]carbamate
CID 166065031
2-[[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]methylamino]benzoic acid
CID 166065021
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
CID 67198237
2-chloro-N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-5-fluoropyrimidin-4-amine
CID 24851796
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylpyrimidin-2-amine
CID 24872409
6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 24855392
4-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine
CID 67196427

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine?
The IUPAC name of 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine (CID 24752853) is 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine is CCOc1cc(CN2CCC(Nc3cnc(N)c(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1.
What is the InChIKey of 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine?
The InChIKey is RAZCITOVRMPMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O2/c1-4-34-25-15-20(16-26(35-5-2)27(25)21-6-8-22(29)9-7-21)18-33-12-10-23(11-13-33)32-24-14-19(3)28(30)31-17-24/h6-9,14-17,23,32H,4-5,10-13,18H2,1-3H3,(H2,30,31).
What are the key properties of 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine?
5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine has a molecular weight of 478.61 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 24752853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).