2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine

C14H23N3 — CID 114957684

IUPAC2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
SMILESCCC1CNC(C)CN1Cc1cnccc1C
InChIInChI=1S/C14H23N3/c1-4-14-8-16-12(3)9-17(14)10-13-7-15-6-5-11(13)2/h5-7,12,14,16H,4,8-10H2,1-3H3
InChIKeyNGKVCHHVDSXUPC-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.96
Rot. Bonds3

About 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine

2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 114957684) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
PubChem CID114957684
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
SMILESCCC1CNC(C)CN1Cc1cnccc1C
InChIInChI=1S/C14H23N3/c1-4-14-8-16-12(3)9-17(14)10-13-7-15-6-5-11(13)2/h5-7,12,14,16H,4,8-10H2,1-3H3
InChIKeyNGKVCHHVDSXUPC-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-ethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957732
2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957678
2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702065
2-ethyl-1-[(2-ethylphenyl)methyl]-5-methylpiperazine
CID 64936505
2-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-ylpiperazine
CID 114702053
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline
CID 64845277
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533
2-ethyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64847055
2,5-dimethyl-1-(4-methyl-3-pyridinyl)piperazine
CID 64936270
5-ethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,4-diazepane
CID 114957425

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine (CID 114957684) is 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine is CCC1CNC(C)CN1Cc1cnccc1C.
What is the InChIKey of 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is NGKVCHHVDSXUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-14-8-16-12(3)9-17(14)10-13-7-15-6-5-11(13)2/h5-7,12,14,16H,4,8-10H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine?
2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 233.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 114957684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).