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

C8H17N3O — CID 57306131

IUPAC(2,6-dimethylpiperidin-1-yl)urea
SMILESCC1CCCC(C)N1NC(N)=O
InChIInChI=1S/C8H17N3O/c1-6-4-3-5-7(2)11(6)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeyUCSJLAXOEZULOQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.83
Rot. Bonds1

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

(2,6-dimethylpiperidin-1-yl)urea (PubChem CID 57306131) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)urea.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)urea
PubChem CID57306131
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(2,6-dimethylpiperidin-1-yl)urea
SMILESCC1CCCC(C)N1NC(N)=O
InChIInChI=1S/C8H17N3O/c1-6-4-3-5-7(2)11(6)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeyUCSJLAXOEZULOQ-UHFFFAOYSA-N
XLogP0.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)urea?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)urea (CID 57306131) is (2,6-dimethylpiperidin-1-yl)urea.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)urea?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)urea is CC1CCCC(C)N1NC(N)=O.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)urea?
The InChIKey is UCSJLAXOEZULOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-4-3-5-7(2)11(6)10-8(9)12/h6-7H,3-5H2,1-2H3,(H3,9,10,12).
What are the key properties of (2,6-dimethylpiperidin-1-yl)urea?
(2,6-dimethylpiperidin-1-yl)urea has a molecular weight of 171.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)urea is sourced from PubChem (CID 57306131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).