2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate

C16H23FN2O2 — CID 68797431

IUPAC2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O2/c1-12(2)11-21-16(20)19-8-6-14(7-9-19)18-15-5-3-4-13(17)10-15/h3-5,10,12,14,18H,6-9,11H2,1-2H3
InChIKeyLZXUKSKLWMNNHI-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.49
Rot. Bonds4

About 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate

2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate (PubChem CID 68797431) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
PubChem CID68797431
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O2/c1-12(2)11-21-16(20)19-8-6-14(7-9-19)18-15-5-3-4-13(17)10-15/h3-5,10,12,14,18H,6-9,11H2,1-2H3
InChIKeyLZXUKSKLWMNNHI-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-methylpropyl 4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60555488
ethyl 4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875235
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
1-(4,4-dimethylpent-1-en-2-yl)-N-(3-fluorophenyl)piperidin-4-amine
CID 143593858
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate
CID 69132792
ethyl 4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112923261
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352750
ethyl 4-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138917
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate (CID 68797431) is 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(Nc2cccc(F)c2)CC1.
What is the InChIKey of 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate?
The InChIKey is LZXUKSKLWMNNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(2)11-21-16(20)19-8-6-14(7-9-19)18-15-5-3-4-13(17)10-15/h3-5,10,12,14,18H,6-9,11H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate?
2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate is sourced from PubChem (CID 68797431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).