ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine

C15H27N3 — CID 170762827

IUPACethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine
SMILESCC.CN1CCN(C(C)(C)c2ccccn2)CC1
InChIInChI=1S/C13H21N3.C2H6/c1-13(2,12-6-4-5-7-14-12)16-10-8-15(3)9-11-16;1-2/h4-7H,8-11H2,1-3H3;1-2H3
InChIKeyCQSIQBWMMTXOIS-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.59
Rot. Bonds2

About ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine

ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine (PubChem CID 170762827) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine
PubChem CID170762827
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Nameethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine
SMILESCC.CN1CCN(C(C)(C)c2ccccn2)CC1
InChIInChI=1S/C13H21N3.C2H6/c1-13(2,12-6-4-5-7-14-12)16-10-8-15(3)9-11-16;1-2/h4-7H,8-11H2,1-3H3;1-2H3
InChIKeyCQSIQBWMMTXOIS-UHFFFAOYSA-N
XLogP2.59
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
CID 59570548
2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate
CID 86647529
2-tert-butylpyridine;ethane;methane
CID 143332153
CID 162723245
CID 162723245
1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane
CID 149041478
trimethyl(2-pyridin-2-ylpropan-2-yloxy)silane
CID 157386063
5-tert-butyl-3-[2-(4-methylpiperazin-1-yl)propan-2-yl]-1,2-oxazole
CID 162472476
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
CID 10315097
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine?
The IUPAC name of ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine (CID 170762827) is ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine is CC.CN1CCN(C(C)(C)c2ccccn2)CC1.
What is the InChIKey of ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine?
The InChIKey is CQSIQBWMMTXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C2H6/c1-13(2,12-6-4-5-7-14-12)16-10-8-15(3)9-11-16;1-2/h4-7H,8-11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine?
ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine has a molecular weight of 249.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine is sourced from PubChem (CID 170762827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).