1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea

C10H21N3O — CID 56983928

IUPAC1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea
SMILESCCN(C(N)=O)N1C(C)CCCC1C
InChIInChI=1S/C10H21N3O/c1-4-12(10(11)14)13-8(2)6-5-7-9(13)3/h8-9H,4-7H2,1-3H3,(H2,11,14)
InChIKeyXVMNZOPPAHAYSQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.56
Rot. Bonds2

About 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea

1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea (PubChem CID 56983928) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea
PubChem CID56983928
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea
SMILESCCN(C(N)=O)N1C(C)CCCC1C
InChIInChI=1S/C10H21N3O/c1-4-12(10(11)14)13-8(2)6-5-7-9(13)3/h8-9H,4-7H2,1-3H3,(H2,11,14)
InChIKeyXVMNZOPPAHAYSQ-UHFFFAOYSA-N
XLogP1.56
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea (CID 56983928) is 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea is CCN(C(N)=O)N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea?
The InChIKey is XVMNZOPPAHAYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-12(10(11)14)13-8(2)6-5-7-9(13)3/h8-9H,4-7H2,1-3H3,(H2,11,14).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea?
1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea has a molecular weight of 199.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-1-ethylurea is sourced from PubChem (CID 56983928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).