1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine

C13H27N3 — CID 60851611

IUPAC1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine
SMILESCC1CCCC(C)N1CCN1CCNCC1
InChIInChI=1S/C13H27N3/c1-12-4-3-5-13(2)16(12)11-10-15-8-6-14-7-9-15/h12-14H,3-11H2,1-2H3
InChIKeyVNNOEILARNRWPI-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds3

About 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine

1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine (PubChem CID 60851611) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine
PubChem CID60851611
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine
SMILESCC1CCCC(C)N1CCN1CCNCC1
InChIInChI=1S/C13H27N3/c1-12-4-3-5-13(2)16(12)11-10-15-8-6-14-7-9-15/h12-14H,3-11H2,1-2H3
InChIKeyVNNOEILARNRWPI-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-piperazin-1-ylethyl)-8-azabicyclo[3.2.1]octane
CID 174051623
ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 153398628
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 124694194
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
CID 104967759
1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 54972040
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511230
2-(2,6-dimethylpiperidin-1-yl)ethanethiol
CID 19607260
(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 104967552
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine (CID 60851611) is 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine is CC1CCCC(C)N1CCN1CCNCC1.
What is the InChIKey of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine?
The InChIKey is VNNOEILARNRWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-4-3-5-13(2)16(12)11-10-15-8-6-14-7-9-15/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine?
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 60851611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).