(2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea

C13H27N3O2 — CID 54141738

IUPAC(2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea
SMILESCC(C)CC(NC(N)=O)(C(C)O)N1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)9-13(11(3)17,15-12(14)18)16-7-5-4-6-8-16/h10-11,17H,4-9H2,1-3H3,(H3,14,15,18)
InChIKeyOBOQSPDHIYUQBE-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.26
Rot. Bonds5

About (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea

(2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea (PubChem CID 54141738) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea.

Molecular Properties

Compound Name(2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea
PubChem CID54141738
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea
SMILESCC(C)CC(NC(N)=O)(C(C)O)N1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)9-13(11(3)17,15-12(14)18)16-7-5-4-6-8-16/h10-11,17H,4-9H2,1-3H3,(H3,14,15,18)
InChIKeyOBOQSPDHIYUQBE-UHFFFAOYSA-N
XLogP1.26
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea?
The IUPAC name of (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea (CID 54141738) is (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea.
What is the SMILES notation for (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea?
The canonical SMILES for (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea is CC(C)CC(NC(N)=O)(C(C)O)N1CCCCC1.
What is the InChIKey of (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea?
The InChIKey is OBOQSPDHIYUQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)9-13(11(3)17,15-12(14)18)16-7-5-4-6-8-16/h10-11,17H,4-9H2,1-3H3,(H3,14,15,18).
What are the key properties of (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea?
(2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea has a molecular weight of 257.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea is sourced from PubChem (CID 54141738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).