1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine

C12H16F3N3 — CID 175659850

IUPAC1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)11-2-1-9(7-17-11)8-18-5-3-10(16)4-6-18/h1-2,7,10H,3-6,8,16H2
InChIKeyVEKDCNMAVOGFSU-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.02
Rot. Bonds2

About 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine

1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine (PubChem CID 175659850) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
PubChem CID175659850
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)11-2-1-9(7-17-11)8-18-5-3-10(16)4-6-18/h1-2,7,10H,3-6,8,16H2
InChIKeyVEKDCNMAVOGFSU-UHFFFAOYSA-N
XLogP2.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine (CID 175659850) is 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine is NC1CCN(Cc2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is VEKDCNMAVOGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)11-2-1-9(7-17-11)8-18-5-3-10(16)4-6-18/h1-2,7,10H,3-6,8,16H2.
What are the key properties of 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine?
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 259.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 175659850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).