ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine

C15H34N2 — CID 156874902

IUPACethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine
SMILESCC.CCC(C)(C)C(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H28N2.C2H6/c1-7-12(2,3)13(4,5)15-10-8-14(6)9-11-15;1-2/h7-11H2,1-6H3;1-2H3
InChIKeyBWQSRJRZIZYMHH-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.47
Rot. Bonds3

About ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine

ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine (PubChem CID 156874902) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine
PubChem CID156874902
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Nameethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine
SMILESCC.CCC(C)(C)C(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H28N2.C2H6/c1-7-12(2,3)13(4,5)15-10-8-14(6)9-11-15;1-2/h7-11H2,1-6H3;1-2H3
InChIKeyBWQSRJRZIZYMHH-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Ditert-butylpiperidine
CID 12722194
Pentamethylpiperidine
CID 21521028
1,1,2,2,3,3-Hexamethylpiperidin-1-ium
CID 67229783
N-ethyl tetramethylpiperidine
CID 69827951
1,4-Bis(2-amino-4-tertbutyl)piperidine
CID 129865129
3-Isocyano-1,3,4-trimethylpiperidine
CID 18685102
1,1,2,2,3,3,4,4-Octamethylpiperidin-1-ium
CID 20644247
3,5-Diethyl-2,2,3,4,5-pentamethyl-1-propylpiperazine
CID 21348322
3,5-Diethyl-1,2,2,3,4,5-hexamethylpiperazine
CID 22094188
N,N-dimethyl-2-(3,3,4-trimethylpiperidin-1-yl)ethanamine
CID 22096497
3,3-Diethyl-1,2,2-trimethylpiperidine
CID 22754555
1,4-Ditert-butyl-4-methylpiperidine
CID 22972519

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine?
The IUPAC name of ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine (CID 156874902) is ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine is CC.CCC(C)(C)C(C)(C)N1CCN(C)CC1.
What is the InChIKey of ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine?
The InChIKey is BWQSRJRZIZYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C2H6/c1-7-12(2,3)13(4,5)15-10-8-14(6)9-11-15;1-2/h7-11H2,1-6H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine?
ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine has a molecular weight of 242.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine is sourced from PubChem (CID 156874902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).