benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate

C20H20FNO4 — CID 131731019

IUPACbenzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate
SMILESO=C(O[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F)c1ccccc1
InChIInChI=1S/C20H20FNO4/c21-17-13-22(20(24)25-14-15-7-3-1-4-8-15)12-11-18(17)26-19(23)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1
InChIKeyZEPHOELXURDSHM-QZTJIDSGSA-N
MW357.38 g/mol
LogP3.59
Rot. Bonds4

About benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate

benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate (PubChem CID 131731019) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate
PubChem CID131731019
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Namebenzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate
SMILESO=C(O[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F)c1ccccc1
InChIInChI=1S/C20H20FNO4/c21-17-13-22(20(24)25-14-15-7-3-1-4-8-15)12-11-18(17)26-19(23)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1
InChIKeyZEPHOELXURDSHM-QZTJIDSGSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, benzoate (ester), endo-
CID 637578
Piperocaine Hydrochloride
CID 10781
Piperocaine
CID 10782
4-[4-(Benzyloxy)piperidino]butyl-4-fluorobenzoate
CID 10221700
Benzoic acid 1-isopropyl-2,5-dimethyl-piperidin-4-yl ester
CID 586831
3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2912528
Benzoyltropein
CID 10834
Elucaine
CID 32331
4-Piperidinol, 1-methyl-, benzoate, hydrochloride
CID 218206
[(1r,5s)-8-Phenethyl-8-Azabicyclo[3.2.1]octan-3-Yl] Benzoate
CID 53245679
4-[4-(Benzyloxy)piperidino]butyl benzoate
CID 9969234
4-[4-(Benzyloxy)piperidino]butyl-4-chlorobenzoate
CID 10135721

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate?
The IUPAC name of benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate (CID 131731019) is benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate is O=C(O[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F)c1ccccc1.
What is the InChIKey of benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate?
The InChIKey is ZEPHOELXURDSHM-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-17-13-22(20(24)25-14-15-7-3-1-4-8-15)12-11-18(17)26-19(23)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1.
What are the key properties of benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate?
benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate has a molecular weight of 357.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,4R)-4-benzoyloxy-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 131731019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).