benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate

C15H20FNO3 — CID 90183765

IUPACbenzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate
SMILESCO[C@@]1(C)CCN(C(=O)OCc2ccccc2)C[C@H]1F
InChIInChI=1S/C15H20FNO3/c1-15(19-2)8-9-17(10-13(15)16)14(18)20-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyPDPNOBXXQOQZPG-HIFRSBDPSA-N
MW281.33 g/mol
LogP2.77
Rot. Bonds3

About benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate

benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate (PubChem CID 90183765) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate
PubChem CID90183765
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namebenzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate
SMILESCO[C@@]1(C)CCN(C(=O)OCc2ccccc2)C[C@H]1F
InChIInChI=1S/C15H20FNO3/c1-15(19-2)8-9-17(10-13(15)16)14(18)20-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyPDPNOBXXQOQZPG-HIFRSBDPSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
CID 90183749
benzyl (3S,4R)-4-(aminomethyl)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 125117327
benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90177792
benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CID 102421396
benzyl (1R,6R)-6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746111
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate (CID 90183765) is benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate is CO[C@@]1(C)CCN(C(=O)OCc2ccccc2)C[C@H]1F.
What is the InChIKey of benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate?
The InChIKey is PDPNOBXXQOQZPG-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(19-2)8-9-17(10-13(15)16)14(18)20-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate?
benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 90183765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).