2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine

C13H16ClF3N2O — CID 82701748

IUPAC2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1N1CCC(OCCCl)CC1
InChIInChI=1S/C13H16ClF3N2O/c14-5-9-20-10-3-7-19(8-4-10)12-11(13(15,16)17)2-1-6-18-12/h1-2,6,10H,3-5,7-9H2
InChIKeyKRQGRRKJNSRHLV-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine

2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 82701748) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID82701748
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1N1CCC(OCCCl)CC1
InChIInChI=1S/C13H16ClF3N2O/c14-5-9-20-10-3-7-19(8-4-10)12-11(13(15,16)17)2-1-6-18-12/h1-2,6,10H,3-5,7-9H2
InChIKeyKRQGRRKJNSRHLV-UHFFFAOYSA-N
XLogP3.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
2-[4-(2-bromoethoxy)piperidin-1-yl]-3-chloropyridine
CID 82701521
3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
CID 75515554
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine
CID 82701136
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline
CID 82687916
3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
CID 79737048
5-chloro-4-[4-(2-chloroethoxy)piperidin-1-yl]pyrimidine
CID 105370712
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine (CID 82701748) is 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1N1CCC(OCCCl)CC1.
What is the InChIKey of 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is KRQGRRKJNSRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c14-5-9-20-10-3-7-19(8-4-10)12-11(13(15,16)17)2-1-6-18-12/h1-2,6,10H,3-5,7-9H2.
What are the key properties of 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 308.73 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 82701748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).