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

C42H82F6N4 — CID 158631272

IUPAC3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine
SMILESCC(C)(C)C1CCN(CC(F)F)CC1.CC(C)(C)C1CN(CC(F)F)C1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23F2N.C11H21F2N.C10H21N.C9H17F2N/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;1-9(2,3)7-4-12(5-7)6-8(10)11/h10H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyHZFNNGFONKMBMB-UHFFFAOYSA-N
MW757.13 g/mol
LogP11.01
Rot. Bonds6

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

3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine (PubChem CID 158631272) has the molecular formula C42H82F6N4 and a molecular weight of 757.13 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine
PubChem CID158631272
Molecular FormulaC42H82F6N4
Molecular Weight757.13 g/mol
Exact Mass756.64
IUPAC Name3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine
SMILESCC(C)(C)C1CCN(CC(F)F)CC1.CC(C)(C)C1CN(CC(F)F)C1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23F2N.C11H21F2N.C10H21N.C9H17F2N/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;1-9(2,3)7-4-12(5-7)6-8(10)11/h10H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyHZFNNGFONKMBMB-UHFFFAOYSA-N
XLogP11.01
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.13
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine 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

4-[2-(4-Fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 130429287
1-Tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine
CID 144929218
7-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 154671087
7-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane
CID 154671242
7-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane
CID 154671243
Ethane;7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
CID 154672526
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
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
CID 158920826
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 159676408
4-Tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-3-ethylcyclobutane;4-tert-butyl-1-methylpiperidine
CID 161356853
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine
CID 165008759
3,3-Difluoro-1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-fluoro-1,4-di(propan-2-yl)piperidine
CID 165018625

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine?
The IUPAC name of 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine (CID 158631272) is 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine.
What is the SMILES notation for 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine?
The canonical SMILES for 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine is CC(C)(C)C1CCN(CC(F)F)CC1.CC(C)(C)C1CN(CC(F)F)C1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine?
The InChIKey is HZFNNGFONKMBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N.C11H21F2N.C10H21N.C9H17F2N/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;1-9(2,3)7-4-12(5-7)6-8(10)11/h10H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;9H,5-8H2,1-4H3;7-8H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine?
3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine has a molecular weight of 757.13 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine is sourced from PubChem (CID 158631272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).