6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine

C28H39F4N3O — CID 24799546

IUPAC6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)CN(CC(C)C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C28H39F4N3O/c1-20(2)16-35(17-21(3)4)26-15-23(28(30,31)32)14-25(33-26)18-36-19-27(10-12-34(5)13-11-27)22-6-8-24(29)9-7-22/h6-9,14-15,20-21H,10-13,16-19H2,1-5H3
InChIKeyHCFNCEYBYZIOAZ-UHFFFAOYSA-N
MW509.63 g/mol
LogP6.54
Rot. Bonds10

About 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine

6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 24799546) has the molecular formula C28H39F4N3O and a molecular weight of 509.63 g/mol. Its IUPAC name is 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID24799546
Molecular FormulaC28H39F4N3O
Molecular Weight509.63 g/mol
Exact Mass509.30
IUPAC Name6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)CN(CC(C)C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C28H39F4N3O/c1-20(2)16-35(17-21(3)4)26-15-23(28(30,31)32)14-25(33-26)18-36-19-27(10-12-34(5)13-11-27)22-6-8-24(29)9-7-22/h6-9,14-15,20-21H,10-13,16-19H2,1-5H3
InChIKeyHCFNCEYBYZIOAZ-UHFFFAOYSA-N
XLogP6.54
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine (CID 24799546) is 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)CN(CC(C)C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1.
What is the InChIKey of 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HCFNCEYBYZIOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39F4N3O/c1-20(2)16-35(17-21(3)4)26-15-23(28(30,31)32)14-25(33-26)18-36-19-27(10-12-34(5)13-11-27)22-6-8-24(29)9-7-22/h6-9,14-15,20-21H,10-13,16-19H2,1-5H3.
What are the key properties of 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 509.63 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-N,N-bis(2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 24799546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).