1-tert-butyl-4-methylpiperazine;propane

C12H28N2 — CID 159466011

IUPAC1-tert-butyl-4-methylpiperazine;propane
SMILESCCC.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.C3H8/c1-9(2,3)11-7-5-10(4)6-8-11;1-3-2/h5-8H2,1-4H3;3H2,1-2H3
InChIKeyLVEOEMNQHPIUIO-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.45
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;propane

1-tert-butyl-4-methylpiperazine;propane (PubChem CID 159466011) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;propane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;propane
PubChem CID159466011
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-tert-butyl-4-methylpiperazine;propane
SMILESCCC.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.C3H8/c1-9(2,3)11-7-5-10(4)6-8-11;1-3-2/h5-8H2,1-4H3;3H2,1-2H3
InChIKeyLVEOEMNQHPIUIO-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine
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1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
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1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
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1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;propane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;propane (CID 159466011) is 1-tert-butyl-4-methylpiperazine;propane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;propane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;propane is CCC.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;propane?
The InChIKey is LVEOEMNQHPIUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C3H8/c1-9(2,3)11-7-5-10(4)6-8-11;1-3-2/h5-8H2,1-4H3;3H2,1-2H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;propane?
1-tert-butyl-4-methylpiperazine;propane has a molecular weight of 200.37 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;propane is sourced from PubChem (CID 159466011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).