benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate

C14H19FN2O2 — CID 124547561

IUPACbenzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate
SMILESCN[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F
InChIInChI=1S/C14H19FN2O2/c1-16-13-7-8-17(9-12(13)15)14(18)19-10-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyABMWQTWKPOPMIO-OLZOCXBDSA-N
MW266.32 g/mol
LogP1.96
Rot. Bonds3

About benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate

benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate (PubChem CID 124547561) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate
PubChem CID124547561
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Namebenzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate
SMILESCN[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F
InChIInChI=1S/C14H19FN2O2/c1-16-13-7-8-17(9-12(13)15)14(18)19-10-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyABMWQTWKPOPMIO-OLZOCXBDSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
benzyl 3-fluoro-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 170992869
benzyl 3-fluoro-4-iodopiperidine-1-carboxylate
CID 166077335
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl (3R,4R)-4-anilino-3-methylpiperidine-1-carboxylate
CID 14987150
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481
benzyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
CID 71262078

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate (CID 124547561) is benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate is CN[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F.
What is the InChIKey of benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate?
The InChIKey is ABMWQTWKPOPMIO-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16-13-7-8-17(9-12(13)15)14(18)19-10-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate?
benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 124547561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).