2-tert-butyl-1-methylpiperazine

C9H20N2 — CID 64834162

IUPAC2-tert-butyl-1-methylpiperazine
SMILESCN1CCNCC1C(C)(C)C
InChIInChI=1S/C9H20N2/c1-9(2,3)8-7-10-5-6-11(8)4/h8,10H,5-7H2,1-4H3
InChIKeyZKUOKKDZVODPCK-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.94
Rot. Bonds

About 2-tert-butyl-1-methylpiperazine

2-tert-butyl-1-methylpiperazine (PubChem CID 64834162) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-tert-butyl-1-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-methylpiperazine
PubChem CID64834162
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-tert-butyl-1-methylpiperazine
SMILESCN1CCNCC1C(C)(C)C
InChIInChI=1S/C9H20N2/c1-9(2,3)8-7-10-5-6-11(8)4/h8,10H,5-7H2,1-4H3
InChIKeyZKUOKKDZVODPCK-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-amino-3,3-dimethylbutyl]dimethylamine
CID 30428933
1-(Butan-2-yl)piperazine
CID 2735696
4-(4-Methylpiperazin-1-yl)butan-2-amine
CID 20069902
1-(3,3-Dimethylbutyl)piperazine
CID 23112345
2-(Propan-2-yl)piperazine
CID 558976
1-(3-Methylbutyl)piperazine
CID 10057758
1-Ethyl-3,3-dimethylpiperazine
CID 56924066
1-Tert-butyl-3,3-dimethylpiperazine
CID 57665743
1-sec-Butyl-piperazine hydrochloride
CID 16189617
1-(2-(1-Amino-2-propyl)aminoethyl)-2-methylpiperazine
CID 3086047
1-(2-(2-Amino-1-propyl)aminoethyl)-2-methylpiperazine
CID 3086048
1-(2-(2-Amino-1-propyl)aminoethyl)-3-methylpiperazine
CID 3086050

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylpiperazine?
The IUPAC name of 2-tert-butyl-1-methylpiperazine (CID 64834162) is 2-tert-butyl-1-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-methylpiperazine?
The canonical SMILES for 2-tert-butyl-1-methylpiperazine is CN1CCNCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylpiperazine?
The InChIKey is ZKUOKKDZVODPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(2,3)8-7-10-5-6-11(8)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-1-methylpiperazine?
2-tert-butyl-1-methylpiperazine has a molecular weight of 156.27 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylpiperazine is sourced from PubChem (CID 64834162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).