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

C9H17NO — CID 129416121

IUPAC[(3R)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCNC1
InChIInChI=1S/C9H17NO/c1-2-4-9(8-11)5-3-6-10-7-9/h2,10-11H,1,3-8H2/t9-/m0/s1
InChIKeyMOBPYYCVASVMHO-VIFPVBQESA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds3

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

[(3R)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 129416121) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(3R)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID129416121
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(3R)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCNC1
InChIInChI=1S/C9H17NO/c1-2-4-9(8-11)5-3-6-10-7-9/h2,10-11H,1,3-8H2/t9-/m0/s1
InChIKeyMOBPYYCVASVMHO-VIFPVBQESA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
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)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-prop-2-enylpiperidin-3-yl]methanol (CID 129416121) is [(3R)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@]1(CO)CCCNC1.
What is the InChIKey of [(3R)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is MOBPYYCVASVMHO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-2-4-9(8-11)5-3-6-10-7-9/h2,10-11H,1,3-8H2/t9-/m0/s1.
What are the key properties of [(3R)-3-prop-2-enylpiperidin-3-yl]methanol?
[(3R)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 129416121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).