N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine

C15H22F3N3 — CID 105074101

IUPACN-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3/c1-11(2)20-8-12-5-6-19-9-14(12)21-7-3-4-13(10-21)15(16,17)18/h5-6,9,11,13,20H,3-4,7-8,10H2,1-2H3
InChIKeyUEPOSOHHVKHTAY-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.36
Rot. Bonds4

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

N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105074101) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
PubChem CID105074101
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3/c1-11(2)20-8-12-5-6-19-9-14(12)21-7-3-4-13(10-21)15(16,17)18/h5-6,9,11,13,20H,3-4,7-8,10H2,1-2H3
InChIKeyUEPOSOHHVKHTAY-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine (CID 105074101) is N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccncc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is UEPOSOHHVKHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-11(2)20-8-12-5-6-19-9-14(12)21-7-3-4-13(10-21)15(16,17)18/h5-6,9,11,13,20H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine?
N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 301.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105074101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).