N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine

C15H22F3N3 — CID 63854935

IUPACN-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine
SMILESCCNC(C)C1CCCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H22F3N3/c1-3-19-11(2)13-6-4-5-9-21(13)14-8-7-12(10-20-14)15(16,17)18/h7-8,10-11,13,19H,3-6,9H2,1-2H3
InChIKeyIRPZLXHHGAZCQH-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.46
Rot. Bonds4

About N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine

N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine (PubChem CID 63854935) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine
PubChem CID63854935
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine
SMILESCCNC(C)C1CCCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H22F3N3/c1-3-19-11(2)13-6-4-5-9-21(13)14-8-7-12(10-20-14)15(16,17)18/h7-8,10-11,13,19H,3-6,9H2,1-2H3
InChIKeyIRPZLXHHGAZCQH-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 104605826
N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine
CID 63854921
(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 96947194
2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
CID 100689790
1-ethyl-3-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63854758
[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 164642673
4-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63855097
[1-(5-tert-butyl-2-pyridinyl)azepan-2-yl]methanamine
CID 107875713
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 104605827
N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105157245
2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 100689453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine (CID 63854935) is N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine is CCNC(C)C1CCCCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine?
The InChIKey is IRPZLXHHGAZCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-3-19-11(2)13-6-4-5-9-21(13)14-8-7-12(10-20-14)15(16,17)18/h7-8,10-11,13,19H,3-6,9H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine?
N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine has a molecular weight of 301.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63854935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).