N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

C21H26F3N3O — CID 24855588

IUPACN-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)ccc1C
InChIInChI=1S/C21H26F3N3O/c1-3-28-19-12-16(5-4-15(19)2)14-27-10-8-18(9-11-27)26-20-7-6-17(13-25-20)21(22,23)24/h4-7,12-13,18H,3,8-11,14H2,1-2H3,(H,25,26)
InChIKeyPEDWJNJPDPCCSJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.88
Rot. Bonds6

About N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 24855588) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID24855588
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC NameN-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1cc(CN2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)ccc1C
InChIInChI=1S/C21H26F3N3O/c1-3-28-19-12-16(5-4-15(19)2)14-27-10-8-18(9-11-27)26-20-7-6-17(13-25-20)21(22,23)24/h4-7,12-13,18H,3,8-11,14H2,1-2H3,(H,25,26)
InChIKeyPEDWJNJPDPCCSJ-UHFFFAOYSA-N
XLogP4.88
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 24855588) is N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is CCOc1cc(CN2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)ccc1C.
What is the InChIKey of N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PEDWJNJPDPCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O/c1-3-28-19-12-16(5-4-15(19)2)14-27-10-8-18(9-11-27)26-20-7-6-17(13-25-20)21(22,23)24/h4-7,12-13,18H,3,8-11,14H2,1-2H3,(H,25,26).
What are the key properties of N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 393.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 24855588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).