2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine

C12H15F3N2 — CID 131703770

IUPAC2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-4-7-17(8-5-10)9-11-3-1-2-6-16-11/h1-3,6,10H,4-5,7-9H2
InChIKeyKSRAAHQDJCDFER-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.86
Rot. Bonds2

About 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine

2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 131703770) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
PubChem CID131703770
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-4-7-17(8-5-10)9-11-3-1-2-6-16-11/h1-3,6,10H,4-5,7-9H2
InChIKeyKSRAAHQDJCDFER-UHFFFAOYSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
CID 59694740
CID 59694740
N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106906779
2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine
CID 56886415
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine (CID 131703770) is 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine is FC(F)(F)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is KSRAAHQDJCDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)10-4-7-17(8-5-10)9-11-3-1-2-6-16-11/h1-3,6,10H,4-5,7-9H2.
What are the key properties of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 244.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 131703770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).