2-methyl-1-prop-2-enylpiperidin-4-ol

C9H17NO — CID 45088417

IUPAC2-methyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1CCC(O)CC1C
InChIInChI=1S/C9H17NO/c1-3-5-10-6-4-9(11)7-8(10)2/h3,8-9,11H,1,4-7H2,2H3
InChIKeyRJWSBPXVNZUALI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

About 2-methyl-1-prop-2-enylpiperidin-4-ol

2-methyl-1-prop-2-enylpiperidin-4-ol (PubChem CID 45088417) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylpiperidin-4-ol
PubChem CID45088417
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1CCC(O)CC1C
InChIInChI=1S/C9H17NO/c1-3-5-10-6-4-9(11)7-8(10)2/h3,8-9,11H,1,4-7H2,2H3
InChIKeyRJWSBPXVNZUALI-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylpiperidin-4-ol?
The IUPAC name of 2-methyl-1-prop-2-enylpiperidin-4-ol (CID 45088417) is 2-methyl-1-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 2-methyl-1-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 2-methyl-1-prop-2-enylpiperidin-4-ol is C=CCN1CCC(O)CC1C.
What is the InChIKey of 2-methyl-1-prop-2-enylpiperidin-4-ol?
The InChIKey is RJWSBPXVNZUALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-10-6-4-9(11)7-8(10)2/h3,8-9,11H,1,4-7H2,2H3.
What are the key properties of 2-methyl-1-prop-2-enylpiperidin-4-ol?
2-methyl-1-prop-2-enylpiperidin-4-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 45088417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).