(4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone

C15H19NO2 — CID 889929

IUPAC(4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone
SMILESC=CCc1cc(C(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C15H19NO2/c1-2-6-12-11-13(7-8-14(12)17)15(18)16-9-4-3-5-10-16/h2,7-8,11,17H,1,3-6,9-10H2
InChIKeyHHLPDRCRRDEWEL-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.75
Rot. Bonds3

About (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone

(4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone (PubChem CID 889929) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone
PubChem CID889929
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone
SMILESC=CCc1cc(C(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C15H19NO2/c1-2-6-12-11-13(7-8-14(12)17)15(18)16-9-4-3-5-10-16/h2,7-8,11,17H,1,3-6,9-10H2
InChIKeyHHLPDRCRRDEWEL-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.75
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 (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone (CID 889929) is (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone is C=CCc1cc(C(=O)N2CCCCC2)ccc1O.
What is the InChIKey of (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone?
The InChIKey is HHLPDRCRRDEWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-6-12-11-13(7-8-14(12)17)15(18)16-9-4-3-5-10-16/h2,7-8,11,17H,1,3-6,9-10H2.
What are the key properties of (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone?
(4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone has a molecular weight of 245.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-prop-2-enylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 889929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).