1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine

C14H29N3 — CID 114547129

IUPAC1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine
SMILESCC1CN(CC2(C)CCCNC2)CC(C)N1C
InChIInChI=1S/C14H29N3/c1-12-8-17(9-13(2)16(12)4)11-14(3)6-5-7-15-10-14/h12-13,15H,5-11H2,1-4H3
InChIKeyXEIJHYIAQYXSPH-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds2

About 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine

1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine (PubChem CID 114547129) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine
PubChem CID114547129
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine
SMILESCC1CN(CC2(C)CCCNC2)CC(C)N1C
InChIInChI=1S/C14H29N3/c1-12-8-17(9-13(2)16(12)4)11-14(3)6-5-7-15-10-14/h12-13,15H,5-11H2,1-4H3
InChIKeyXEIJHYIAQYXSPH-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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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine?
The IUPAC name of 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine (CID 114547129) is 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine?
The canonical SMILES for 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine is CC1CN(CC2(C)CCCNC2)CC(C)N1C.
What is the InChIKey of 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine?
The InChIKey is XEIJHYIAQYXSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-8-17(9-13(2)16(12)4)11-14(3)6-5-7-15-10-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine?
1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine 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 1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine is sourced from PubChem (CID 114547129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).