2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol

C10H19NO2 — CID 126993246

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol
SMILESOCC1CCN(C2CCC2O)CC1
InChIInChI=1S/C10H19NO2/c12-7-8-3-5-11(6-4-8)9-1-2-10(9)13/h8-10,12-13H,1-7H2
InChIKeyBRHWZSBLNKQFFH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.21
Rot. Bonds2

About 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol

2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol (PubChem CID 126993246) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol
PubChem CID126993246
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol
SMILESOCC1CCN(C2CCC2O)CC1
InChIInChI=1S/C10H19NO2/c12-7-8-3-5-11(6-4-8)9-1-2-10(9)13/h8-10,12-13H,1-7H2
InChIKeyBRHWZSBLNKQFFH-UHFFFAOYSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol (CID 126993246) is 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol is OCC1CCN(C2CCC2O)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol?
The InChIKey is BRHWZSBLNKQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-7-8-3-5-11(6-4-8)9-1-2-10(9)13/h8-10,12-13H,1-7H2.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol?
2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 126993246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).