tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate

C15H27FN2O3 — CID 138612843

IUPACtert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N[C@@H]2CCOCC2F)CC1
InChIInChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)18-7-4-11(5-8-18)17-13-6-9-20-10-12(13)16/h11-13,17H,4-10H2,1-3H3/t12?,13-/m1/s1
InChIKeyWADSLZBNBHGRKF-ZGTCLIOFSA-N
MW302.39 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate (PubChem CID 138612843) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
PubChem CID138612843
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N[C@@H]2CCOCC2F)CC1
InChIInChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)18-7-4-11(5-8-18)17-13-6-9-20-10-12(13)16/h11-13,17H,4-10H2,1-3H3/t12?,13-/m1/s1
InChIKeyWADSLZBNBHGRKF-ZGTCLIOFSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]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-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate (CID 138612843) is tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCOCC2F)CC1.
What is the InChIKey of tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is WADSLZBNBHGRKF-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)18-7-4-11(5-8-18)17-13-6-9-20-10-12(13)16/h11-13,17H,4-10H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 302.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4R)-3-fluorooxan-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 138612843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).