tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate

C18H26FNO3 — CID 10853374

IUPACtert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate
SMILESCOC(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-11-9-14(10-12-20)16(22-4)13-5-7-15(19)8-6-13/h5-8,14,16H,9-12H2,1-4H3
InChIKeyJXWLYCRGIKFGKS-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate

tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate (PubChem CID 10853374) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate
PubChem CID10853374
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nametert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate
SMILESCOC(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-11-9-14(10-12-20)16(22-4)13-5-7-15(19)8-6-13/h5-8,14,16H,9-12H2,1-4H3
InChIKeyJXWLYCRGIKFGKS-UHFFFAOYSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate (CID 10853374) is tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate is COC(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate?
The InChIKey is JXWLYCRGIKFGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-11-9-14(10-12-20)16(22-4)13-5-7-15(19)8-6-13/h5-8,14,16H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate has a molecular weight of 323.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-fluorophenyl)-methoxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 10853374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).