2-tert-butyl-3-fluoro-5-methoxypiperidine

C10H20FNO — CID 164775357

IUPAC2-tert-butyl-3-fluoro-5-methoxypiperidine
SMILESCOC1CNC(C(C)(C)C)C(F)C1
InChIInChI=1S/C10H20FNO/c1-10(2,3)9-8(11)5-7(13-4)6-12-9/h7-9,12H,5-6H2,1-4H3
InChIKeyQNPCLFSYNHUBOI-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds1

About 2-tert-butyl-3-fluoro-5-methoxypiperidine

2-tert-butyl-3-fluoro-5-methoxypiperidine (PubChem CID 164775357) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoro-5-methoxypiperidine.

Molecular Properties

Compound Name2-tert-butyl-3-fluoro-5-methoxypiperidine
PubChem CID164775357
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-tert-butyl-3-fluoro-5-methoxypiperidine
SMILESCOC1CNC(C(C)(C)C)C(F)C1
InChIInChI=1S/C10H20FNO/c1-10(2,3)9-8(11)5-7(13-4)6-12-9/h7-9,12H,5-6H2,1-4H3
InChIKeyQNPCLFSYNHUBOI-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-3-fluoro-5-methoxypiperidine 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

5-fluoro-N,2,4,6-tetramethyloxan-3-amine
CID 59938453
5-(2-Fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane
CID 140662958
2-Tert-butyl-5-(trifluoromethoxy)piperidine
CID 155003843
2-Tert-butyl-3-fluoro-5-methoxy-1-methylpiperidine
CID 167076250
2-Ethyl-3-fluoro-5-methoxypiperidine
CID 167076426
2-Tert-butyl-5-(difluoromethoxy)piperidine
CID 176832733
2-Tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
4-Tert-butyl-3-fluoro-5-methoxy-2-methylpiperidine
CID 176833984
4-Tert-butyl-2-(difluoromethyl)-5-methoxypiperidine
CID 176834414
5-(3-Fluorobutyl)-2-propan-2-ylmorpholine
CID 178173140
2-(Propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine
CID 106780619
8,8,8-trifluoro-3-methoxy-N,2,2-trimethyloctan-4-amine
CID 113557151

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoro-5-methoxypiperidine?
The IUPAC name of 2-tert-butyl-3-fluoro-5-methoxypiperidine (CID 164775357) is 2-tert-butyl-3-fluoro-5-methoxypiperidine.
What is the SMILES notation for 2-tert-butyl-3-fluoro-5-methoxypiperidine?
The canonical SMILES for 2-tert-butyl-3-fluoro-5-methoxypiperidine is COC1CNC(C(C)(C)C)C(F)C1.
What is the InChIKey of 2-tert-butyl-3-fluoro-5-methoxypiperidine?
The InChIKey is QNPCLFSYNHUBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,3)9-8(11)5-7(13-4)6-12-9/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-3-fluoro-5-methoxypiperidine?
2-tert-butyl-3-fluoro-5-methoxypiperidine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoro-5-methoxypiperidine is sourced from PubChem (CID 164775357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).