3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine

C12H14F4N2 — CID 171323447

IUPAC3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
SMILESFc1cncc(CN2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H14F4N2/c13-11-5-9(6-17-7-11)8-18-3-1-10(2-4-18)12(14,15)16/h5-7,10H,1-4,8H2
InChIKeyTULQCEHYUWOGJP-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.99
Rot. Bonds2

About 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine

3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 171323447) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
PubChem CID171323447
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
SMILESFc1cncc(CN2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H14F4N2/c13-11-5-9(6-17-7-11)8-18-3-1-10(2-4-18)12(14,15)16/h5-7,10H,1-4,8H2
InChIKeyTULQCEHYUWOGJP-UHFFFAOYSA-N
XLogP2.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
CID 114084046
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
CID 154879461
1-[(5-fluoro-3-pyridinyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 171994100
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine
CID 126789555
1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
CID 131703561

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine (CID 171323447) is 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine is Fc1cncc(CN2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is TULQCEHYUWOGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-11-5-9(6-17-7-11)8-18-3-1-10(2-4-18)12(14,15)16/h5-7,10H,1-4,8H2.
What are the key properties of 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 262.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 171323447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).