4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane

C43H88F4N4 — CID 158303892

IUPAC4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane
SMILESC.CC(C)(C)C1CCN(CC(F)F)CC1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CCN1CC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23F2N.C11H21F2N.C10H21N.C9H19N.CH4/c1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-11(2,3)9-4-6-14(7-5-9)8-10(12)13;1-10(2,3)9-5-7-11(4)8-6-9;1-5-10-6-8(7-10)9(2,3)4;/h10H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;1H4
InChIKeyGMVLJHXWEPSEOB-UHFFFAOYSA-N
MW737.20 g/mol
LogP11.40
Rot. Bonds5

About 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane

4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane (PubChem CID 158303892) has the molecular formula C43H88F4N4 and a molecular weight of 737.20 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane.

Molecular Properties

Compound Name4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane
PubChem CID158303892
Molecular FormulaC43H88F4N4
Molecular Weight737.20 g/mol
Exact Mass736.69
IUPAC Name4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane
SMILESC.CC(C)(C)C1CCN(CC(F)F)CC1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CCN1CC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23F2N.C11H21F2N.C10H21N.C9H19N.CH4/c1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-11(2,3)9-4-6-14(7-5-9)8-10(12)13;1-10(2,3)9-5-7-11(4)8-6-9;1-5-10-6-8(7-10)9(2,3)4;/h10H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;1H4
InChIKeyGMVLJHXWEPSEOB-UHFFFAOYSA-N
XLogP11.40
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.20
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane 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 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane?
The IUPAC name of 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane (CID 158303892) is 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane.
What is the SMILES notation for 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane?
The canonical SMILES for 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane is C.CC(C)(C)C1CCN(CC(F)F)CC1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CCN1CC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane?
The InChIKey is GMVLJHXWEPSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N.C11H21F2N.C10H21N.C9H19N.CH4/c1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-11(2,3)9-4-6-14(7-5-9)8-10(12)13;1-10(2,3)9-5-7-11(4)8-6-9;1-5-10-6-8(7-10)9(2,3)4;/h10H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;1H4.
What are the key properties of 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane?
4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane has a molecular weight of 737.20 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane is sourced from PubChem (CID 158303892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).