tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate

C11H21FN2O2 — CID 86657837

IUPACtert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](CN)[C@H](F)C1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-5-4-8(6-13)9(12)7-14/h8-9H,4-7,13H2,1-3H3/t8-,9-/m1/s1
InChIKeyPWWDRFMQLZQJAY-RKDXNWHRSA-N
MW232.30 g/mol
LogP1.54
Rot. Bonds1

About tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate

tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate (PubChem CID 86657837) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate
PubChem CID86657837
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](CN)[C@H](F)C1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-5-4-8(6-13)9(12)7-14/h8-9H,4-7,13H2,1-3H3/t8-,9-/m1/s1
InChIKeyPWWDRFMQLZQJAY-RKDXNWHRSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-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 (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate (CID 86657837) is tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](CN)[C@H](F)C1.
What is the InChIKey of tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate?
The InChIKey is PWWDRFMQLZQJAY-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-5-4-8(6-13)9(12)7-14/h8-9H,4-7,13H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate?
tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 86657837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).