1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol

C10H19NO2 — CID 126987363

IUPAC1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol
SMILESOCC1CCN(C2CCC2)CC1O
InChIInChI=1S/C10H19NO2/c12-7-8-4-5-11(6-10(8)13)9-2-1-3-9/h8-10,12-13H,1-7H2
InChIKeyLMCASGWNVPABPN-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.21
Rot. Bonds2

About 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol

1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 126987363) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol
PubChem CID126987363
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol
SMILESOCC1CCN(C2CCC2)CC1O
InChIInChI=1S/C10H19NO2/c12-7-8-4-5-11(6-10(8)13)9-2-1-3-9/h8-10,12-13H,1-7H2
InChIKeyLMCASGWNVPABPN-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 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol (CID 126987363) is 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol is OCC1CCN(C2CCC2)CC1O.
What is the InChIKey of 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is LMCASGWNVPABPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-7-8-4-5-11(6-10(8)13)9-2-1-3-9/h8-10,12-13H,1-7H2.
What are the key properties of 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol?
1-cyclobutyl-4-(hydroxymethyl)piperidin-3-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 1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 126987363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).