3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride

C12H15Cl2F3N2O — CID 71643509

IUPAC3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(OCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C12H14ClF3N2O.ClH/c13-10-5-9(12(14,15)16)6-18-11(10)19-7-8-1-3-17-4-2-8;/h5-6,8,17H,1-4,7H2;1H
InChIKeyXULNDMKYXBDQSR-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride

3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 71643509) has the molecular formula C12H15Cl2F3N2O and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
PubChem CID71643509
Molecular FormulaC12H15Cl2F3N2O
Molecular Weight331.17 g/mol
Exact Mass330.05
IUPAC Name3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(OCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C12H14ClF3N2O.ClH/c13-10-5-9(12(14,15)16)6-18-11(10)19-7-8-1-3-17-4-2-8;/h5-6,8,17H,1-4,7H2;1H
InChIKeyXULNDMKYXBDQSR-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 94406478
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 120847374
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride
CID 126843079
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride?
The IUPAC name of 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride (CID 71643509) is 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride?
The canonical SMILES for 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride is Cl.FC(F)(F)c1cnc(OCC2CCNCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride?
The InChIKey is XULNDMKYXBDQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O.ClH/c13-10-5-9(12(14,15)16)6-18-11(10)19-7-8-1-3-17-4-2-8;/h5-6,8,17H,1-4,7H2;1H.
What are the key properties of 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride?
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 331.17 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 71643509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).