3-methylpiperidin-4-ol

C6H13NO — CID 4713502

IUPAC3-methylpiperidin-4-ol
SMILESCC1CNCCC1O
InChIInChI=1S/C6H13NO/c1-5-4-7-3-2-6(5)8/h5-8H,2-4H2,1H3
InChIKeyOAQDXXYGSGJMGR-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.02
Rot. Bonds

About 3-methylpiperidin-4-ol

3-methylpiperidin-4-ol (PubChem CID 4713502) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-methylpiperidin-4-ol
PubChem CID4713502
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-methylpiperidin-4-ol
SMILESCC1CNCCC1O
InChIInChI=1S/C6H13NO/c1-5-4-7-3-2-6(5)8/h5-8H,2-4H2,1H3
InChIKeyOAQDXXYGSGJMGR-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidin-4-ol?
The IUPAC name of 3-methylpiperidin-4-ol (CID 4713502) is 3-methylpiperidin-4-ol.
What is the SMILES notation for 3-methylpiperidin-4-ol?
The canonical SMILES for 3-methylpiperidin-4-ol is CC1CNCCC1O.
What is the InChIKey of 3-methylpiperidin-4-ol?
The InChIKey is OAQDXXYGSGJMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-4-7-3-2-6(5)8/h5-8H,2-4H2,1H3.
What are the key properties of 3-methylpiperidin-4-ol?
3-methylpiperidin-4-ol has a molecular weight of 115.18 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidin-4-ol is sourced from PubChem (CID 4713502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).