2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride

C13H16ClF3N2O3 — CID 175131076

IUPAC2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(OC[C@H]2CCCNC2)nc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3.ClH/c14-13(15,16)10-4-9(12(19)20)5-11(18-10)21-7-8-2-1-3-17-6-8;/h4-5,8,17H,1-3,6-7H2,(H,19,20);1H/t8-;/m0./s1
InChIKeyCNZFJSLIIQKUSV-QRPNPIFTSA-N
MW340.73 g/mol
LogP2.60
Rot. Bonds4

About 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride

2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride (PubChem CID 175131076) has the molecular formula C13H16ClF3N2O3 and a molecular weight of 340.73 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride
PubChem CID175131076
Molecular FormulaC13H16ClF3N2O3
Molecular Weight340.73 g/mol
Exact Mass340.08
IUPAC Name2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(OC[C@H]2CCCNC2)nc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3.ClH/c14-13(15,16)10-4-9(12(19)20)5-11(18-10)21-7-8-2-1-3-17-6-8;/h4-5,8,17H,1-3,6-7H2,(H,19,20);1H/t8-;/m0./s1
InChIKeyCNZFJSLIIQKUSV-QRPNPIFTSA-N
XLogP2.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62348885
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769
4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride
CID 71643214
6-(piperidin-3-ylmethoxy)pyridine-2-carboxamide
CID 64589412
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile
CID 63886031
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline
CID 117095791
2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine
CID 146284962
2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
CID 170886815
[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate
CID 98057079

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride (CID 175131076) is 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc(OC[C@H]2CCCNC2)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride?
The InChIKey is CNZFJSLIIQKUSV-QRPNPIFTSA-N. The full InChI is InChI=1S/C13H15F3N2O3.ClH/c14-13(15,16)10-4-9(12(19)20)5-11(18-10)21-7-8-2-1-3-17-6-8;/h4-5,8,17H,1-3,6-7H2,(H,19,20);1H/t8-;/m0./s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride?
2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride has a molecular weight of 340.73 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-piperidin-3-yl]methoxy]-6-(trifluoromethyl)pyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 175131076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).