1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine

C13H21N3 — CID 150931235

IUPAC1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCCN1CCN(Cc2cccnc2)CC1C
InChIInChI=1S/C13H21N3/c1-3-16-8-7-15(10-12(16)2)11-13-5-4-6-14-9-13/h4-6,9,12H,3,7-8,10-11H2,1-2H3
InChIKeyLGBQBCWTTPTAKF-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.61
Rot. Bonds3

About 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine

1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 150931235) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
PubChem CID150931235
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCCN1CCN(Cc2cccnc2)CC1C
InChIInChI=1S/C13H21N3/c1-3-16-8-7-15(10-12(16)2)11-13-5-4-6-14-9-13/h4-6,9,12H,3,7-8,10-11H2,1-2H3
InChIKeyLGBQBCWTTPTAKF-UHFFFAOYSA-N
XLogP1.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
CID 95336645
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633712
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
CID 99784942
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 95354138
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine
CID 77246039

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine (CID 150931235) is 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine is CCN1CCN(Cc2cccnc2)CC1C.
What is the InChIKey of 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is LGBQBCWTTPTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-16-8-7-15(10-12(16)2)11-13-5-4-6-14-9-13/h4-6,9,12H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine?
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 150931235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).