6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine

C17H18F3N3 — CID 155021554

IUPAC6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(CNc2ccc(N3CCC(F)(F)CC3)nc2)cc1
InChIInChI=1S/C17H18F3N3/c18-14-3-1-13(2-4-14)11-21-15-5-6-16(22-12-15)23-9-7-17(19,20)8-10-23/h1-6,12,21H,7-11H2
InChIKeyUNAQPXSKQDYDME-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.07
Rot. Bonds4

About 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine

6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 155021554) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
PubChem CID155021554
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(CNc2ccc(N3CCC(F)(F)CC3)nc2)cc1
InChIInChI=1S/C17H18F3N3/c18-14-3-1-13(2-4-14)11-21-15-5-6-16(22-12-15)23-9-7-17(19,20)8-10-23/h1-6,12,21H,7-11H2
InChIKeyUNAQPXSKQDYDME-UHFFFAOYSA-N
XLogP4.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
2-(Benzylamino)pyridine
CID 23362
WZ 811
CID 11565518
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
VK-19911
CID 9797240
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
2-Benzylamino-5-nitropyridine
CID 261542
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
1-(4-Methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 848971

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine (CID 155021554) is 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine is Fc1ccc(CNc2ccc(N3CCC(F)(F)CC3)nc2)cc1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The InChIKey is UNAQPXSKQDYDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3/c18-14-3-1-13(2-4-14)11-21-15-5-6-16(22-12-15)23-9-7-17(19,20)8-10-23/h1-6,12,21H,7-11H2.
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine has a molecular weight of 321.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 155021554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).