4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride

C7H12ClF2NO2 — CID 138040731

IUPAC4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(C(F)F)CCNCC1
InChIInChI=1S/C7H11F2NO2.ClH/c8-5(9)7(6(11)12)1-3-10-4-2-7;/h5,10H,1-4H2,(H,11,12);1H
InChIKeyAKMDOPCPKJUHBU-UHFFFAOYSA-N
MW215.63 g/mol
LogP1.13
Rot. Bonds2

About 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride

4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 138040731) has the molecular formula C7H12ClF2NO2 and a molecular weight of 215.63 g/mol. Its IUPAC name is 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID138040731
Molecular FormulaC7H12ClF2NO2
Molecular Weight215.63 g/mol
Exact Mass215.05
IUPAC Name4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(C(F)F)CCNCC1
InChIInChI=1S/C7H11F2NO2.ClH/c8-5(9)7(6(11)12)1-3-10-4-2-7;/h5,10H,1-4H2,(H,11,12);1H
InChIKeyAKMDOPCPKJUHBU-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

4-Piperidinecarboxylic acid
CID 3773
Isonipecotic acid hydrochloride
CID 22298
4-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 50944202
4-Ethylpiperidine-4-carboxylic acid
CID 50944203
4-Methylpiperidine-4-carboxylic acid hydrochloride
CID 51000379
4-Fluoropiperidine-4-carboxylic acid hydrochloride
CID 53393267
4-Fluoropiperidine-4-carboxylic acid
CID 53393268
4-Cyanopiperidine-4-carboxylic acid hydrochloride
CID 137698974
3,3-Difluoropiperidine-4-carboxylic acid
CID 83480508
Methyl 4-(difluoromethyl)piperidine-4-carboxylate hydrochloride
CID 137934692
4-(2-Fluoroethyl)piperidine-4-carboxylic acid; trifluoroacetic acid
CID 154577297
Isonipecotate chloride
CID 129699934

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride (CID 138040731) is 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1(C(F)F)CCNCC1.
What is the InChIKey of 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is AKMDOPCPKJUHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2.ClH/c8-5(9)7(6(11)12)1-3-10-4-2-7;/h5,10H,1-4H2,(H,11,12);1H.
What are the key properties of 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride?
4-(difluoromethyl)piperidine-4-carboxylic 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 4-(difluoromethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 138040731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).