N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride

C17H26ClFN2O — CID 171365241

IUPACN,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1c(C)cc(C2CCNCC2)cc1F.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-4-20(5-2)17(21)16-12(3)10-14(11-15(16)18)13-6-8-19-9-7-13;/h10-11,13,19H,4-9H2,1-3H3;1H
InChIKeyXVERGHKEDIJOSW-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.50
Rot. Bonds4

About N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride

N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 171365241) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
PubChem CID171365241
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC NameN,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1c(C)cc(C2CCNCC2)cc1F.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-4-20(5-2)17(21)16-12(3)10-14(11-15(16)18)13-6-8-19-9-7-13;/h10-11,13,19H,4-9H2,1-3H3;1H
InChIKeyXVERGHKEDIJOSW-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide
CID 171365240
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365207
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide
CID 171365208
N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365215
N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide
CID 169452618
2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
CID 171365222
N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648900
N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905662
N,N,2-trimethyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452615
N-ethyl-2,6-difluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 82816613
N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411
2,3-dimethyl-5-piperidin-4-ylphenol
CID 117293924

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride (CID 171365241) is N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride is CCN(CC)C(=O)c1c(C)cc(C2CCNCC2)cc1F.Cl.
What is the InChIKey of N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is XVERGHKEDIJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-4-20(5-2)17(21)16-12(3)10-14(11-15(16)18)13-6-8-19-9-7-13;/h10-11,13,19H,4-9H2,1-3H3;1H.
What are the key properties of N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride?
N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 171365241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).