N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride

C18H28ClFN2O — CID 174853104

IUPACN-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)C1CCCCN1CCCCF.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-14-8-7-9-15(2)17(14)20-18(22)16-10-3-5-12-21(16)13-6-4-11-19;/h7-9,16H,3-6,10-13H2,1-2H3,(H,20,22);1H
InChIKeyOKKPJYDSGYOHPI-UHFFFAOYSA-N
MW342.89 g/mol
LogP4.27
Rot. Bonds6

About N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride

N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 174853104) has the molecular formula C18H28ClFN2O and a molecular weight of 342.89 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
PubChem CID174853104
Molecular FormulaC18H28ClFN2O
Molecular Weight342.89 g/mol
Exact Mass342.19
IUPAC NameN-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)C1CCCCN1CCCCF.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-14-8-7-9-15(2)17(14)20-18(22)16-10-3-5-12-21(16)13-6-4-11-19;/h7-9,16H,3-6,10-13H2,1-2H3,(H,20,22);1H
InChIKeyOKKPJYDSGYOHPI-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide
CID 156775827
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
CID 122503909
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride (CID 174853104) is N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride is Cc1cccc(C)c1NC(=O)C1CCCCN1CCCCF.Cl.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is OKKPJYDSGYOHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.ClH/c1-14-8-7-9-15(2)17(14)20-18(22)16-10-3-5-12-21(16)13-6-4-11-19;/h7-9,16H,3-6,10-13H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride?
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 174853104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).