5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol

C8H17NO2 — CID 144874088

IUPAC5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol
SMILESCC1(C)NCC(O)CC1CO
InChIInChI=1S/C8H17NO2/c1-8(2)6(5-10)3-7(11)4-9-8/h6-7,9-11H,3-5H2,1-2H3
InChIKeyVAIJBSOAVUMINB-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.27
Rot. Bonds1

About 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol

5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol (PubChem CID 144874088) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol
PubChem CID144874088
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol
SMILESCC1(C)NCC(O)CC1CO
InChIInChI=1S/C8H17NO2/c1-8(2)6(5-10)3-7(11)4-9-8/h6-7,9-11H,3-5H2,1-2H3
InChIKeyVAIJBSOAVUMINB-UHFFFAOYSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol (CID 144874088) is 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol is CC1(C)NCC(O)CC1CO.
What is the InChIKey of 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol?
The InChIKey is VAIJBSOAVUMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2)6(5-10)3-7(11)4-9-8/h6-7,9-11H,3-5H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol?
5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6,6-dimethylpiperidin-3-ol is sourced from PubChem (CID 144874088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).