1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane

C21H44N2O — CID 160970317

IUPAC1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane
SMILESC.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/C11H21NO.C9H19N.CH4/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(2,3)10-7-5-4-6-8-10;/h10H,5-8H2,1-4H3;4-8H2,1-3H3;1H4
InChIKeySYDXZPSTHCQJHJ-UHFFFAOYSA-N
MW340.60 g/mol
LogP5.20
Rot. Bonds

About 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane

1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane (PubChem CID 160970317) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane.

Molecular Properties

Compound Name1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane
PubChem CID160970317
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Name1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane
SMILESC.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/C11H21NO.C9H19N.CH4/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(2,3)10-7-5-4-6-8-10;/h10H,5-8H2,1-4H3;4-8H2,1-3H3;1H4
InChIKeySYDXZPSTHCQJHJ-UHFFFAOYSA-N
XLogP5.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane 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

bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 159596797
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
4-tert-butyl-N-(1-tert-butylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
CID 176630030
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane?
The IUPAC name of 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane (CID 160970317) is 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane.
What is the SMILES notation for 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane?
The canonical SMILES for 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane is C.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)N1CCCCC1.
What is the InChIKey of 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane?
The InChIKey is SYDXZPSTHCQJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C9H19N.CH4/c1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(2,3)10-7-5-4-6-8-10;/h10H,5-8H2,1-4H3;4-8H2,1-3H3;1H4.
What are the key properties of 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane?
1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane has a molecular weight of 340.60 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane is sourced from PubChem (CID 160970317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).