2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine

C14H29N3 — CID 64933663

IUPAC2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine
SMILESCCC1CNC(C)(C)CN1C1CCN(C)CC1
InChIInChI=1S/C14H29N3/c1-5-12-10-15-14(2,3)11-17(12)13-6-8-16(4)9-7-13/h12-13,15H,5-11H2,1-4H3
InChIKeyFXVKVJTZLOZXOW-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds2

About 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine

2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine (PubChem CID 64933663) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine
PubChem CID64933663
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine
SMILESCCC1CNC(C)(C)CN1C1CCN(C)CC1
InChIInChI=1S/C14H29N3/c1-5-12-10-15-14(2,3)11-17(12)13-6-8-16(4)9-7-13/h12-13,15H,5-11H2,1-4H3
InChIKeyFXVKVJTZLOZXOW-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine (CID 64933663) is 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine is CCC1CNC(C)(C)CN1C1CCN(C)CC1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is FXVKVJTZLOZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-12-10-15-14(2,3)11-17(12)13-6-8-16(4)9-7-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine?
2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 64933663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).