1-hydroxy-3-methoxy-5-propan-2-ylpiperidine

C9H19NO2 — CID 139505715

IUPAC1-hydroxy-3-methoxy-5-propan-2-ylpiperidine
SMILESCOC1CC(C(C)C)CN(O)C1
InChIInChI=1S/C9H19NO2/c1-7(2)8-4-9(12-3)6-10(11)5-8/h7-9,11H,4-6H2,1-3H3
InChIKeyHQHQNJINWDKDPZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.37
Rot. Bonds2

About 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine

1-hydroxy-3-methoxy-5-propan-2-ylpiperidine (PubChem CID 139505715) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-hydroxy-3-methoxy-5-propan-2-ylpiperidine
PubChem CID139505715
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-hydroxy-3-methoxy-5-propan-2-ylpiperidine
SMILESCOC1CC(C(C)C)CN(O)C1
InChIInChI=1S/C9H19NO2/c1-7(2)8-4-9(12-3)6-10(11)5-8/h7-9,11H,4-6H2,1-3H3
InChIKeyHQHQNJINWDKDPZ-UHFFFAOYSA-N
XLogP1.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine?
The IUPAC name of 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine (CID 139505715) is 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine.
What is the SMILES notation for 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine?
The canonical SMILES for 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine is COC1CC(C(C)C)CN(O)C1.
What is the InChIKey of 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine?
The InChIKey is HQHQNJINWDKDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)8-4-9(12-3)6-10(11)5-8/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine?
1-hydroxy-3-methoxy-5-propan-2-ylpiperidine has a molecular weight of 173.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxy-5-propan-2-ylpiperidine is sourced from PubChem (CID 139505715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).