1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine

C14H29N3O — CID 117025061

IUPAC1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C2CCNCC2(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-14(2)12-15-5-4-13(14)17-8-6-16(7-9-17)10-11-18-3/h13,15H,4-12H2,1-3H3
InChIKeyHZRAYKCQPVVYHL-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds4

About 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine

1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine (PubChem CID 117025061) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine
PubChem CID117025061
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C2CCNCC2(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-14(2)12-15-5-4-13(14)17-8-6-16(7-9-17)10-11-18-3/h13,15H,4-12H2,1-3H3
InChIKeyHZRAYKCQPVVYHL-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine (CID 117025061) is 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine is COCCN1CCN(C2CCNCC2(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine?
The InChIKey is HZRAYKCQPVVYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2)12-15-5-4-13(14)17-8-6-16(7-9-17)10-11-18-3/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine?
1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperidin-4-yl)-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 117025061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).