2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride

C7H12ClF2NO2 — CID 139026492

IUPAC2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)C1CCNCC1
InChIInChI=1S/C7H11F2NO2.ClH/c8-7(9,6(11)12)5-1-3-10-4-2-5;/h5,10H,1-4H2,(H,11,12);1H
InChIKeyYHTIKRDYUAUEJT-UHFFFAOYSA-N
MW215.63 g/mol
LogP1.13
Rot. Bonds2

About 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride

2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride (PubChem CID 139026492) has the molecular formula C7H12ClF2NO2 and a molecular weight of 215.63 g/mol. Its IUPAC name is 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride
PubChem CID139026492
Molecular FormulaC7H12ClF2NO2
Molecular Weight215.63 g/mol
Exact Mass215.05
IUPAC Name2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)C1CCNCC1
InChIInChI=1S/C7H11F2NO2.ClH/c8-7(9,6(11)12)5-1-3-10-4-2-5;/h5,10H,1-4H2,(H,11,12);1H
InChIKeyYHTIKRDYUAUEJT-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Nipecotic Acid
CID 4498
Nipecotic acid, S-(+)-
CID 6575389
(-)-Nipecotic acid
CID 1796510
4-Piperidineacetic acid
CID 1512594
4-Piperidineacetic acid hydrochloride
CID 15565775
(3S)-piperidine-3-carboxylic acid hydrochloride
CID 24820453
(3R)-piperidine-3-carboxylic acid hydrochloride
CID 24820499
2-(Piperidin-4-yl)propanoic acid hydrochloride
CID 47000778
4,4-Difluoropiperidine-3-carboxylic acid hydrochloride
CID 84721379
Methyl 2-(3,3-difluoropiperidin-4-yl)acetate hydrochloride
CID 155973750
Piperidine-3-carboxylic acid hydrochloride
CID 12313377
4,4-Difluoropiperidine-3-carboxylic acid
CID 54594753

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride?
The IUPAC name of 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride (CID 139026492) is 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride.
What is the SMILES notation for 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride?
The canonical SMILES for 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride is Cl.O=C(O)C(F)(F)C1CCNCC1.
What is the InChIKey of 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride?
The InChIKey is YHTIKRDYUAUEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2.ClH/c8-7(9,6(11)12)5-1-3-10-4-2-5;/h5,10H,1-4H2,(H,11,12);1H.
What are the key properties of 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride?
2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride has a molecular weight of 215.63 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-piperidin-4-ylacetic acid;hydrochloride is sourced from PubChem (CID 139026492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).