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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Related Compounds

(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
CID 125439521
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 71644395
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141220850
1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
CID 134595430
2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
CID 125438590
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126877477
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171996048
[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 70730752
1-[2,2-difluoro-2-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-amine
CID 118938563
N-[[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]methyl]but-3-enamide
CID 95199125

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).