1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane

C31H68N4 — CID 157124239

IUPAC1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane
SMILESC.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H23N.C10H21N.C9H20N2.CH4/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4
InChIKeyAIIDMBAPBXZWNH-UHFFFAOYSA-N
MW496.91 g/mol
LogP6.95
Rot. Bonds1

About 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane

1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane (PubChem CID 157124239) has the molecular formula C31H68N4 and a molecular weight of 496.91 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane
PubChem CID157124239
Molecular FormulaC31H68N4
Molecular Weight496.91 g/mol
Exact Mass496.54
IUPAC Name1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane
SMILESC.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H23N.C10H21N.C9H20N2.CH4/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4
InChIKeyAIIDMBAPBXZWNH-UHFFFAOYSA-N
XLogP6.95
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.91
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-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 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane (CID 157124239) is 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane is C.CC1CCN(C(C)(C)C)CC1.CN1CCC(CC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane?
The InChIKey is AIIDMBAPBXZWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H21N.C9H20N2.CH4/c1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4.
What are the key properties of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane?
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane has a molecular weight of 496.91 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;methane is sourced from PubChem (CID 157124239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).