tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate

C14H26F2N2O3 — CID 104857530

IUPACtert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CNCC(F)(F)CO)C1
InChIInChI=1S/C14H26F2N2O3/c1-13(2,3)21-12(20)18-6-4-5-11(8-18)7-17-9-14(15,16)10-19/h11,17,19H,4-10H2,1-3H3
InChIKeyNAVVOZFUACRANH-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.85
Rot. Bonds5

About tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 104857530) has the molecular formula C14H26F2N2O3 and a molecular weight of 308.37 g/mol. Its IUPAC name is tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate
PubChem CID104857530
Molecular FormulaC14H26F2N2O3
Molecular Weight308.37 g/mol
Exact Mass308.19
IUPAC Nametert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CNCC(F)(F)CO)C1
InChIInChI=1S/C14H26F2N2O3/c1-13(2,3)21-12(20)18-6-4-5-11(8-18)7-17-9-14(15,16)10-19/h11,17,19H,4-10H2,1-3H3
InChIKeyNAVVOZFUACRANH-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]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

Related Compounds

tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate
CID 103529632
tert-butyl 3-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]piperidine-1-carboxylate
CID 104625113
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]piperidine-1-carboxylate
CID 103702169
tert-butyl 3-[(3-hydroxypentylamino)methyl]piperidine-1-carboxylate
CID 115703001
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl (3S)-3-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate
CID 151334292
tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
CID 60618286
tert-butyl 3-(4-ethoxy-2,4-dioxobutyl)piperidine-1-carboxylate
CID 24730344

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate (CID 104857530) is tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CNCC(F)(F)CO)C1.
What is the InChIKey of tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is NAVVOZFUACRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O3/c1-13(2,3)21-12(20)18-6-4-5-11(8-18)7-17-9-14(15,16)10-19/h11,17,19H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 308.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104857530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).