4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C19H26FNO3 — CID 91712006

IUPAC4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCC(C)CCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO3/c1-14(2)4-3-13-24-19(23)16-9-11-21(12-10-16)18(22)15-5-7-17(20)8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3
InChIKeyQEGVJHJDWCPLQV-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.66
Rot. Bonds6

About 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 91712006) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID91712006
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCC(C)CCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO3/c1-14(2)4-3-13-24-19(23)16-9-11-21(12-10-16)18(22)15-5-7-17(20)8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3
InChIKeyQEGVJHJDWCPLQV-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309412
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 55587634
4-methylpentyl cyclopropanecarboxylate
CID 550148
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739997
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
octyl 1-(4-ethylbenzoyl)piperidine-4-carboxylate
CID 91737596
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
4-methylpentyl 4-fluorobenzoate
CID 579315
nonyl 1-benzoylpiperidine-4-carboxylate
CID 91738796
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635136

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 91712006) is 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is CC(C)CCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is QEGVJHJDWCPLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-14(2)4-3-13-24-19(23)16-9-11-21(12-10-16)18(22)15-5-7-17(20)8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3.
What are the key properties of 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 335.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91712006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).