3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

C13H21N3 — CID 64953364

IUPAC3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CN(Cc2cccc(C)n2)CCN1
InChIInChI=1S/C13H21N3/c1-3-12-9-16(8-7-14-12)10-13-6-4-5-11(2)15-13/h4-6,12,14H,3,7-10H2,1-2H3
InChIKeyWYGFBISQOKLWDC-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.57
Rot. Bonds3

About 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 64953364) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID64953364
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CN(Cc2cccc(C)n2)CCN1
InChIInChI=1S/C13H21N3/c1-3-12-9-16(8-7-14-12)10-13-6-4-5-11(2)15-13/h4-6,12,14H,3,7-10H2,1-2H3
InChIKeyWYGFBISQOKLWDC-UHFFFAOYSA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64948769
5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79260558
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
2-[(3-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64833998
2-[(3-ethylpiperazin-1-yl)methyl]pyrimidine
CID 64831814
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952375
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 79260870
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682282

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 64953364) is 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is CCC1CN(Cc2cccc(C)n2)CCN1.
What is the InChIKey of 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is WYGFBISQOKLWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-12-9-16(8-7-14-12)10-13-6-4-5-11(2)15-13/h4-6,12,14H,3,7-10H2,1-2H3.
What are the key properties of 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 64953364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).