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

C18H26FNO3 — CID 18364794

IUPACtert-butyl 4-[(4-fluorophenyl)methoxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-10-8-15(9-11-20)13-22-12-14-4-6-16(19)7-5-14/h4-7,15H,8-13H2,1-3H3
InChIKeyIIZRWCVJYCSMLK-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.99
Rot. Bonds4

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

tert-butyl 4-[(4-fluorophenyl)methoxymethyl]piperidine-1-carboxylate (PubChem CID 18364794) 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 CID18364794
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nametert-butyl 4-[(4-fluorophenyl)methoxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-10-8-15(9-11-20)13-22-12-14-4-6-16(19)7-5-14/h4-7,15H,8-13H2,1-3H3
InChIKeyIIZRWCVJYCSMLK-UHFFFAOYSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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 18364794) 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 CC(C)(C)OC(=O)N1CCC(COCc2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-fluorophenyl)methoxymethyl]piperidine-1-carboxylate?
The InChIKey is IIZRWCVJYCSMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-10-8-15(9-11-20)13-22-12-14-4-6-16(19)7-5-14/h4-7,15H,8-13H2,1-3H3.
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 3.99, 4 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 18364794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).