methyl 4-(4-fluorophenyl)piperidine-1-carboxylate

C13H16FNO2 — CID 70180289

IUPACmethyl 4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)15-8-6-11(7-9-15)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyFTNHHZPPEUIOPD-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.77
Rot. Bonds1

About methyl 4-(4-fluorophenyl)piperidine-1-carboxylate

methyl 4-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 70180289) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)piperidine-1-carboxylate
PubChem CID70180289
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)15-8-6-11(7-9-15)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyFTNHHZPPEUIOPD-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-[4-(4-fluorophenyl)piperidin-1-yl]but-2-en-1-one
CID 18723464
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
methyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 86841431
methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate
CID 54404104
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
(4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 174770341
methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 59049917
N'-(4-fluorophenyl)-N-[4-[1-[2-(4-methoxy-3-methylphenyl)acetyl]piperidin-4-yl]phenyl]propanediamide
CID 171678318
benzyl 3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 130472055
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one
CID 75502753

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)piperidine-1-carboxylate (CID 70180289) is methyl 4-(4-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)piperidine-1-carboxylate is COC(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 4-(4-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is FTNHHZPPEUIOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)15-8-6-11(7-9-15)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3.
What are the key properties of methyl 4-(4-fluorophenyl)piperidine-1-carboxylate?
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 70180289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).