methane;1-prop-2-enylpiperidin-3-ol

C9H19NO — CID 67493066

IUPACmethane;1-prop-2-enylpiperidin-3-ol
SMILESC.C=CCN1CCCC(O)C1
InChIInChI=1S/C8H15NO.CH4/c1-2-5-9-6-3-4-8(10)7-9;/h2,8,10H,1,3-7H2;1H4
InChIKeyOFQVAIPLBUBZCV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds2

About methane;1-prop-2-enylpiperidin-3-ol

methane;1-prop-2-enylpiperidin-3-ol (PubChem CID 67493066) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is methane;1-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Namemethane;1-prop-2-enylpiperidin-3-ol
PubChem CID67493066
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namemethane;1-prop-2-enylpiperidin-3-ol
SMILESC.C=CCN1CCCC(O)C1
InChIInChI=1S/C8H15NO.CH4/c1-2-5-9-6-3-4-8(10)7-9;/h2,8,10H,1,3-7H2;1H4
InChIKeyOFQVAIPLBUBZCV-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
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 methane;1-prop-2-enylpiperidin-3-ol?
The IUPAC name of methane;1-prop-2-enylpiperidin-3-ol (CID 67493066) is methane;1-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for methane;1-prop-2-enylpiperidin-3-ol?
The canonical SMILES for methane;1-prop-2-enylpiperidin-3-ol is C.C=CCN1CCCC(O)C1.
What is the InChIKey of methane;1-prop-2-enylpiperidin-3-ol?
The InChIKey is OFQVAIPLBUBZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.CH4/c1-2-5-9-6-3-4-8(10)7-9;/h2,8,10H,1,3-7H2;1H4.
What are the key properties of methane;1-prop-2-enylpiperidin-3-ol?
methane;1-prop-2-enylpiperidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 67493066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).