2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine

C15H25N3 — CID 64935510

IUPAC2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
SMILESCCC1CNC(C)(C)CN1C(C)c1ccccn1
InChIInChI=1S/C15H25N3/c1-5-13-10-17-15(3,4)11-18(13)12(2)14-8-6-7-9-16-14/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyLWNMKPQOSHOQRO-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.61
Rot. Bonds3

About 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine

2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine (PubChem CID 64935510) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
PubChem CID64935510
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
SMILESCCC1CNC(C)(C)CN1C(C)c1ccccn1
InChIInChI=1S/C15H25N3/c1-5-13-10-17-15(3,4)11-18(13)12(2)14-8-6-7-9-16-14/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyLWNMKPQOSHOQRO-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-propyl-1-(1-pyridin-2-ylethyl)piperazine
CID 64934355
2-ethyl-5,5-dimethyl-1-(1-thiophen-2-ylethyl)piperazine
CID 64934167
1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64948195
5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine
CID 64932001
3-ethyl-3-methyl-1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 64944972
[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
CID 129448824
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822
5-cyclopropyl-2-ethyl-5-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64935896
5-cyclopropyl-2-ethyl-5-methyl-1-(1-pyridin-3-ylethyl)piperazine
CID 64934546
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
N-ethyl-2-methyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 54976631
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine (CID 64935510) is 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine is CCC1CNC(C)(C)CN1C(C)c1ccccn1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine?
The InChIKey is LWNMKPQOSHOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-13-10-17-15(3,4)11-18(13)12(2)14-8-6-7-9-16-14/h6-9,12-13,17H,5,10-11H2,1-4H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine?
2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1-(1-pyridin-2-ylethyl)piperazine is sourced from PubChem (CID 64935510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).