cyclobut-2-en-1-yl(piperidin-1-yl)methanol

C10H17NO — CID 146320927

IUPACcyclobut-2-en-1-yl(piperidin-1-yl)methanol
SMILESOC(C1C=CC1)N1CCCCC1
InChIInChI=1S/C10H17NO/c12-10(9-5-4-6-9)11-7-2-1-3-8-11/h4-5,9-10,12H,1-3,6-8H2
InChIKeyYRKZZOJHGBDEIY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.37
Rot. Bonds2

About cyclobut-2-en-1-yl(piperidin-1-yl)methanol

cyclobut-2-en-1-yl(piperidin-1-yl)methanol (PubChem CID 146320927) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is cyclobut-2-en-1-yl(piperidin-1-yl)methanol.

Molecular Properties

Compound Namecyclobut-2-en-1-yl(piperidin-1-yl)methanol
PubChem CID146320927
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namecyclobut-2-en-1-yl(piperidin-1-yl)methanol
SMILESOC(C1C=CC1)N1CCCCC1
InChIInChI=1S/C10H17NO/c12-10(9-5-4-6-9)11-7-2-1-3-8-11/h4-5,9-10,12H,1-3,6-8H2
InChIKeyYRKZZOJHGBDEIY-UHFFFAOYSA-N
XLogP1.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobut-2-en-1-yl(piperidin-1-yl)methanol?
The IUPAC name of cyclobut-2-en-1-yl(piperidin-1-yl)methanol (CID 146320927) is cyclobut-2-en-1-yl(piperidin-1-yl)methanol.
What is the SMILES notation for cyclobut-2-en-1-yl(piperidin-1-yl)methanol?
The canonical SMILES for cyclobut-2-en-1-yl(piperidin-1-yl)methanol is OC(C1C=CC1)N1CCCCC1.
What is the InChIKey of cyclobut-2-en-1-yl(piperidin-1-yl)methanol?
The InChIKey is YRKZZOJHGBDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10(9-5-4-6-9)11-7-2-1-3-8-11/h4-5,9-10,12H,1-3,6-8H2.
What are the key properties of cyclobut-2-en-1-yl(piperidin-1-yl)methanol?
cyclobut-2-en-1-yl(piperidin-1-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobut-2-en-1-yl(piperidin-1-yl)methanol is sourced from PubChem (CID 146320927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).