benzyl 3-fluoropiperidine-1-carboxylate

C13H16FNO2 — CID 71036215

IUPACbenzyl 3-fluoropiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(F)C1
InChIInChI=1S/C13H16FNO2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKeyMUCAARPOAOUYRG-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.76
Rot. Bonds2

About benzyl 3-fluoropiperidine-1-carboxylate

benzyl 3-fluoropiperidine-1-carboxylate (PubChem CID 71036215) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is benzyl 3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-fluoropiperidine-1-carboxylate
PubChem CID71036215
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namebenzyl 3-fluoropiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(F)C1
InChIInChI=1S/C13H16FNO2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKeyMUCAARPOAOUYRG-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Carbobenzoxy-4-piperidinecarboxylic Acid
CID 736489
Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
Benzyl piperazine-1-carboxylate
CID 643495
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
1-(Biphenyl-4-yl)vinyl piperidine-1-carboxylate
CID 44201123
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
1-(Phenylmethoxy)-4-piperidylbut-2-yne, chloride
CID 16192747
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
CID 13196229
Benzyl 3-pyrroline-1-carboxylate
CID 643471
1-Benzyloxycarbonyl-3-piperidone
CID 1514169
4-Cbz-aminopiperidine
CID 1514304
Benzyl 4-bromotetrahydro-1(2H)-pyridinecarboxylate
CID 2776275

Frequently Asked Questions

What is the IUPAC name of benzyl 3-fluoropiperidine-1-carboxylate?
The IUPAC name of benzyl 3-fluoropiperidine-1-carboxylate (CID 71036215) is benzyl 3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-fluoropiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-fluoropiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC(F)C1.
What is the InChIKey of benzyl 3-fluoropiperidine-1-carboxylate?
The InChIKey is MUCAARPOAOUYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2.
What are the key properties of benzyl 3-fluoropiperidine-1-carboxylate?
benzyl 3-fluoropiperidine-1-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 71036215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).