[(3R)-1-prop-2-enylpiperidin-3-yl]methanol

C9H17NO — CID 11084113

IUPAC[(3R)-1-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCN1CCC[C@@H](CO)C1
InChIInChI=1S/C9H17NO/c1-2-5-10-6-3-4-9(7-10)8-11/h2,9,11H,1,3-8H2/t9-/m1/s1
InChIKeyASOIWBHRLHPHSP-SECBINFHSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds3

About [(3R)-1-prop-2-enylpiperidin-3-yl]methanol

[(3R)-1-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 11084113) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(3R)-1-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-prop-2-enylpiperidin-3-yl]methanol
PubChem CID11084113
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(3R)-1-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCN1CCC[C@@H](CO)C1
InChIInChI=1S/C9H17NO/c1-2-5-10-6-3-4-9(7-10)8-11/h2,9,11H,1,3-8H2/t9-/m1/s1
InChIKeyASOIWBHRLHPHSP-SECBINFHSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
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 [(3R)-1-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-prop-2-enylpiperidin-3-yl]methanol (CID 11084113) is [(3R)-1-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-prop-2-enylpiperidin-3-yl]methanol is C=CCN1CCC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is ASOIWBHRLHPHSP-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-5-10-6-3-4-9(7-10)8-11/h2,9,11H,1,3-8H2/t9-/m1/s1.
What are the key properties of [(3R)-1-prop-2-enylpiperidin-3-yl]methanol?
[(3R)-1-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 11084113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).