2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride

C12H14ClF3N2O2 — CID 140555408

IUPAC2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H13F3N2O2.ClH/c13-12(14,15)10-2-1-8(6-17-10)9-5-7(11(18)19)3-4-16-9;/h1-2,6-7,9,16H,3-5H2,(H,18,19);1H
InChIKeyMBIOCUCQOYBFBB-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.65
Rot. Bonds2

About 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride

2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 140555408) has the molecular formula C12H14ClF3N2O2 and a molecular weight of 310.70 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID140555408
Molecular FormulaC12H14ClF3N2O2
Molecular Weight310.70 g/mol
Exact Mass310.07
IUPAC Name2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H13F3N2O2.ClH/c13-12(14,15)10-2-1-8(6-17-10)9-5-7(11(18)19)3-4-16-9;/h1-2,6-7,9,16H,3-5H2,(H,18,19);1H
InChIKeyMBIOCUCQOYBFBB-UHFFFAOYSA-N
XLogP2.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride (CID 140555408) is 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCNC(c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is MBIOCUCQOYBFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2.ClH/c13-12(14,15)10-2-1-8(6-17-10)9-5-7(11(18)19)3-4-16-9;/h1-2,6-7,9,16H,3-5H2,(H,18,19);1H.
What are the key properties of 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride?
2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 310.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 140555408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).