tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate

C18H26FNO3 — CID 175932528

IUPACtert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate
SMILESCO[C@@H]1C[C@H](c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C[C@H]1C
InChIInChI=1S/C18H26FNO3/c1-12-11-20(17(21)23-18(2,3)4)15(10-16(12)22-5)13-6-8-14(19)9-7-13/h6-9,12,15-16H,10-11H2,1-5H3/t12-,15-,16-/m1/s1
InChIKeyGXEBTWVCLRZPFE-DAXOMENPSA-N
MW323.41 g/mol
LogP4.16
Rot. Bonds2

About tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate

tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate (PubChem CID 175932528) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate
PubChem CID175932528
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nametert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate
SMILESCO[C@@H]1C[C@H](c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C[C@H]1C
InChIInChI=1S/C18H26FNO3/c1-12-11-20(17(21)23-18(2,3)4)15(10-16(12)22-5)13-6-8-14(19)9-7-13/h6-9,12,15-16H,10-11H2,1-5H3/t12-,15-,16-/m1/s1
InChIKeyGXEBTWVCLRZPFE-DAXOMENPSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate (CID 175932528) is tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate is CO[C@@H]1C[C@H](c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C[C@H]1C.
What is the InChIKey of tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate?
The InChIKey is GXEBTWVCLRZPFE-DAXOMENPSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-12-11-20(17(21)23-18(2,3)4)15(10-16(12)22-5)13-6-8-14(19)9-7-13/h6-9,12,15-16H,10-11H2,1-5H3/t12-,15-,16-/m1/s1.
What are the key properties of tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate?
tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate has a molecular weight of 323.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 175932528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).