2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine

C11H12ClF3N2 — CID 63388486

IUPAC2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1N1CCC(Cl)CC1
InChIInChI=1S/C11H12ClF3N2/c12-8-3-6-17(7-4-8)10-9(11(13,14)15)2-1-5-16-10/h1-2,5,8H,3-4,6-7H2
InChIKeyBKLDDSHSIWWNLJ-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.31
Rot. Bonds1

About 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine

2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine (PubChem CID 63388486) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
PubChem CID63388486
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1N1CCC(Cl)CC1
InChIInChI=1S/C11H12ClF3N2/c12-8-3-6-17(7-4-8)10-9(11(13,14)15)2-1-5-16-10/h1-2,5,8H,3-4,6-7H2
InChIKeyBKLDDSHSIWWNLJ-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 82701748
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 171992769
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 175941093
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172899349
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 133300594
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine (CID 63388486) is 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1N1CCC(Cl)CC1.
What is the InChIKey of 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is BKLDDSHSIWWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c12-8-3-6-17(7-4-8)10-9(11(13,14)15)2-1-5-16-10/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine?
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 264.68 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 63388486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).