tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate

C17H25FN2O2 — CID 58483513

IUPACtert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CN2CCCCC2)cc1F
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-8-7-13(11-14(15)18)12-20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)
InChIKeyOGDCCSDDZDQFJF-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate

tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate (PubChem CID 58483513) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate
PubChem CID58483513
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CN2CCCCC2)cc1F
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-8-7-13(11-14(15)18)12-20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)
InChIKeyOGDCCSDDZDQFJF-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate 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 N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate (CID 58483513) is tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CN2CCCCC2)cc1F.
What is the InChIKey of tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate?
The InChIKey is OGDCCSDDZDQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-8-7-13(11-14(15)18)12-20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate?
tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]carbamate is sourced from PubChem (CID 58483513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).