2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride

C13H18ClFN2O — CID 171365207

IUPAC2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C2CCNCC2)cc(F)c1C(N)=O.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-8-6-10(9-2-4-16-5-3-9)7-11(14)12(8)13(15)17;/h6-7,9,16H,2-5H2,1H3,(H2,15,17);1H
InChIKeyWVERHRWAFDKRRX-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.12
Rot. Bonds2

About 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride

2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 171365207) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
PubChem CID171365207
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cc(C2CCNCC2)cc(F)c1C(N)=O.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-8-6-10(9-2-4-16-5-3-9)7-11(14)12(8)13(15)17;/h6-7,9,16H,2-5H2,1H3,(H2,15,17);1H
InChIKeyWVERHRWAFDKRRX-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methyl-4-piperidin-4-ylbenzamide
CID 171365208
2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide
CID 171365240
N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365215
N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365241
2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
CID 171365222
3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436136
2-methyl-5-piperidin-4-ylbenzamide
CID 175991950
2-methyl-6-piperidin-4-ylbenzamide
CID 174505124
4-piperidin-4-ylbenzamide;hydrochloride
CID 68719929
2,3-dimethyl-5-piperidin-4-ylphenol
CID 117293924
4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452693
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride (CID 171365207) is 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride is Cc1cc(C2CCNCC2)cc(F)c1C(N)=O.Cl.
What is the InChIKey of 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is WVERHRWAFDKRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-8-6-10(9-2-4-16-5-3-9)7-11(14)12(8)13(15)17;/h6-7,9,16H,2-5H2,1H3,(H2,15,17);1H.
What are the key properties of 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 171365207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).