5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine

C17H24F4N2 — CID 166080108

IUPAC5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine
SMILESCCC(CC)c1ncc(CN2CCC(F)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H24F4N2/c1-3-13(4-2)16-15(17(19,20)21)9-12(10-22-16)11-23-7-5-14(18)6-8-23/h9-10,13-14H,3-8,11H2,1-2H3
InChIKeyCNPBNQLOACRDPW-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.94
Rot. Bonds5

About 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine

5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine (PubChem CID 166080108) has the molecular formula C17H24F4N2 and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine
PubChem CID166080108
Molecular FormulaC17H24F4N2
Molecular Weight332.39 g/mol
Exact Mass332.19
IUPAC Name5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine
SMILESCCC(CC)c1ncc(CN2CCC(F)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H24F4N2/c1-3-13(4-2)16-15(17(19,20)21)9-12(10-22-16)11-23-7-5-14(18)6-8-23/h9-10,13-14H,3-8,11H2,1-2H3
InChIKeyCNPBNQLOACRDPW-UHFFFAOYSA-N
XLogP4.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-fluoropiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165378939
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
3-[(R)-cyclobutyl-(3-methyl-2H-1,3,4-thiadiazol-5-yl)methyl]-N-[[5-[(4-fluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]methyl]aniline
CID 166079399
5-[[6-(1,3-dioxolan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-azaspiro[2.4]heptane
CID 166080238
1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975652
4-[(4-ethylazepan-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82965038
3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine
CID 170589062
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
CID 125439521
1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 170587450
5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
CID 104870271
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine (CID 166080108) is 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine is CCC(CC)c1ncc(CN2CCC(F)CC2)cc1C(F)(F)F.
What is the InChIKey of 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine?
The InChIKey is CNPBNQLOACRDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F4N2/c1-3-13(4-2)16-15(17(19,20)21)9-12(10-22-16)11-23-7-5-14(18)6-8-23/h9-10,13-14H,3-8,11H2,1-2H3.
What are the key properties of 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine?
5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine has a molecular weight of 332.39 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoropiperidin-1-yl)methyl]-2-pentan-3-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 166080108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).