N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine

C14H19F4N3 — CID 105390053

IUPACN-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CCCC(C(F)(F)F)C2)c1F
InChIInChI=1S/C14H19F4N3/c1-2-19-8-10-5-6-20-13(12(10)15)21-7-3-4-11(9-21)14(16,17)18/h5-6,11,19H,2-4,7-9H2,1H3
InChIKeyCZBVGUYZJHITLN-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.11
Rot. Bonds4

About N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine

N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine (PubChem CID 105390053) has the molecular formula C14H19F4N3 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine
PubChem CID105390053
Molecular FormulaC14H19F4N3
Molecular Weight305.32 g/mol
Exact Mass305.15
IUPAC NameN-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CCCC(C(F)(F)F)C2)c1F
InChIInChI=1S/C14H19F4N3/c1-2-19-8-10-5-6-20-13(12(10)15)21-7-3-4-11(9-21)14(16,17)18/h5-6,11,19H,2-4,7-9H2,1H3
InChIKeyCZBVGUYZJHITLN-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 105390071
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 102967782
N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105389234
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105390380
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390138
N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105390385
1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389828
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 102967859
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105390296

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine (CID 105390053) is N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(N2CCCC(C(F)(F)F)C2)c1F.
What is the InChIKey of N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine?
The InChIKey is CZBVGUYZJHITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N3/c1-2-19-8-10-5-6-20-13(12(10)15)21-7-3-4-11(9-21)14(16,17)18/h5-6,11,19H,2-4,7-9H2,1H3.
What are the key properties of N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine?
N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine has a molecular weight of 305.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105390053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).