1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine

C14H29N3 — CID 114506139

IUPAC1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(C2CCN(C)CC2C)C(C)CN1
InChIInChI=1S/C14H29N3/c1-5-13-10-17(12(3)8-15-13)14-6-7-16(4)9-11(14)2/h11-15H,5-10H2,1-4H3
InChIKeyPMIBGBKBGPMROA-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine

1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine (PubChem CID 114506139) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine
PubChem CID114506139
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(C2CCN(C)CC2C)C(C)CN1
InChIInChI=1S/C14H29N3/c1-5-13-10-17(12(3)8-15-13)14-6-7-16(4)9-11(14)2/h11-15H,5-10H2,1-4H3
InChIKeyPMIBGBKBGPMROA-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methyl-1-(2-methylcyclohexyl)piperazine
CID 64932429
1-(1,3-dimethylpiperidin-4-yl)-2-ethyl-5-propylpiperazine
CID 114506178
1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64946703
5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-2-methylpiperazine
CID 64941684
2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine
CID 64977928
1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 114505870
5-tert-butyl-1-(1,3-dimethylpiperidin-4-yl)-2-propan-2-ylpiperazine
CID 114506170
1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine
CID 107165362
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
CID 114505869
5-ethyl-1-(2-methylcyclohexyl)-2-phenylpiperazine
CID 64932261
1-(2-bicyclo[2.2.1]heptanyl)-2-methyl-5-propylpiperazine
CID 64942050

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine (CID 114506139) is 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine is CCC1CN(C2CCN(C)CC2C)C(C)CN1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine?
The InChIKey is PMIBGBKBGPMROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-13-10-17(12(3)8-15-13)14-6-7-16(4)9-11(14)2/h11-15H,5-10H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine?
1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 114506139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).