benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate

C19H20FNO2 — CID 140925152

IUPACbenzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](F)C[C@H]1c1ccccc1
InChIInChI=1S/C19H20FNO2/c20-17-11-12-21(18(13-17)16-9-5-2-6-10-16)19(22)23-14-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m1/s1
InChIKeyFJNDNCFUHRZRDS-MSOLQXFVSA-N
MW313.37 g/mol
LogP4.50
Rot. Bonds3

About benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate

benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate (PubChem CID 140925152) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate
PubChem CID140925152
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Namebenzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](F)C[C@H]1c1ccccc1
InChIInChI=1S/C19H20FNO2/c20-17-11-12-21(18(13-17)16-9-5-2-6-10-16)19(22)23-14-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m1/s1
InChIKeyFJNDNCFUHRZRDS-MSOLQXFVSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 154715478
benzyl (2R,4R)-2-(4-fluorophenyl)-4-methylsulfonylpiperidine-1-carboxylate
CID 135283968
benzyl 2-(4-fluorophenyl)-4-methylsulfonylpiperidine-1-carboxylate
CID 135352170
benzyl (1R,5S)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 129389012
(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 102278836
benzyl 9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene-9-carboxylate
CID 129067856
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800
benzyl (2S,4S)-4-methoxy-2-(4-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 121362645
benzyl (2R,4S)-2-(3,4-difluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 86672011
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655
benzyl (2S,3R)-3-(hydroxymethyl)-2-phenylpyrrolidine-1-carboxylate
CID 167736790

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate (CID 140925152) is benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](F)C[C@H]1c1ccccc1.
What is the InChIKey of benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate?
The InChIKey is FJNDNCFUHRZRDS-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-11-12-21(18(13-17)16-9-5-2-6-10-16)19(22)23-14-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m1/s1.
What are the key properties of benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate?
benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate has a molecular weight of 313.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 140925152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).