3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine

C14H29N3 — CID 64953729

IUPAC3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine
SMILESCCC1(C)CN(CC2CCCN(C)C2)CCN1
InChIInChI=1S/C14H29N3/c1-4-14(2)12-17(9-7-15-14)11-13-6-5-8-16(3)10-13/h13,15H,4-12H2,1-3H3
InChIKeyZJEXHMLIQNFHFX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

About 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine

3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine (PubChem CID 64953729) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine
PubChem CID64953729
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine
SMILESCCC1(C)CN(CC2CCCN(C)C2)CCN1
InChIInChI=1S/C14H29N3/c1-4-14(2)12-17(9-7-15-14)11-13-6-5-8-16(3)10-13/h13,15H,4-12H2,1-3H3
InChIKeyZJEXHMLIQNFHFX-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3,3-dimethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-1,4-diazepane
CID 64944982
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
3-ethyl-3-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,4-diazepane
CID 114516842
1-(3,3-dimethylbutyl)-3-ethyl-3-methylpiperazine
CID 64832654
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine
CID 64925802
1-methyl-3-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271478
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
1-[[(3R)-1-methylpiperidin-3-yl]methyl]piperidin-4-ol
CID 156719953
3,3-diethyl-1-(oxan-3-ylmethyl)piperazine
CID 64952342
3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine
CID 106458469
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3-diethylpiperazine
CID 64952021
ethane;3-ethyl-1-methylpiperidine
CID 142833851

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine?
The IUPAC name of 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine (CID 64953729) is 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine.
What is the SMILES notation for 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine?
The canonical SMILES for 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine is CCC1(C)CN(CC2CCCN(C)C2)CCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine?
The InChIKey is ZJEXHMLIQNFHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-14(2)12-17(9-7-15-14)11-13-6-5-8-16(3)10-13/h13,15H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine?
3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine is sourced from PubChem (CID 64953729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).