2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine

C13H21N3 — CID 65463534

IUPAC2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
SMILESCC(c1ccccn1)N1CCNCC1(C)C
InChIInChI=1S/C13H21N3/c1-11(12-6-4-5-7-15-12)16-9-8-14-10-13(16,2)3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyRDISZXBQGAOZEU-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.83
Rot. Bonds2

About 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine

2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine (PubChem CID 65463534) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
PubChem CID65463534
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
SMILESCC(c1ccccn1)N1CCNCC1(C)C
InChIInChI=1S/C13H21N3/c1-11(12-6-4-5-7-15-12)16-9-8-14-10-13(16,2)3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyRDISZXBQGAOZEU-UHFFFAOYSA-N
XLogP1.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
2,2-dimethyl-1-pyridin-2-ylpiperazine
CID 55248494
2,2-dimethyl-1-(2-methyl-1-phenylpropyl)piperazine
CID 65461902
2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
CID 81474419
2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol
CID 65462107
1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine
CID 114079692
1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
CID 66202131
2-piperazin-1-yl-1-pyridin-2-ylpropan-1-amine
CID 116946771
1-butan-2-yl-2,2-dimethylpiperazine
CID 64981259
3-ethyl-3-methyl-1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 64944972
2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol
CID 65461102
N,4-dimethyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 115304187

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine (CID 65463534) is 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine is CC(c1ccccn1)N1CCNCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine?
The InChIKey is RDISZXBQGAOZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(12-6-4-5-7-15-12)16-9-8-14-10-13(16,2)3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine?
2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 65463534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).