1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C11H14F3N3 — CID 4778234

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-1-2-10(16-7-8)17-5-3-9(15)4-6-17/h1-2,7,9H,3-6,15H2
InChIKeyDAVHQAOEZPKBPV-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.03
Rot. Bonds1

About 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 4778234) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID4778234
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESNC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-1-2-10(16-7-8)17-5-3-9(15)4-6-17/h1-2,7,9H,3-6,15H2
InChIKeyDAVHQAOEZPKBPV-UHFFFAOYSA-N
XLogP2.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
Jnj-17203212
CID 11339118
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Pyridine, 2-benzylamino-, hydrochloride
CID 2830234
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 4778234) is 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is DAVHQAOEZPKBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)8-1-2-10(16-7-8)17-5-3-9(15)4-6-17/h1-2,7,9H,3-6,15H2.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 245.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 4778234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).