(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone

C15H19NO3 — CID 43417500

IUPAC(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H19NO3/c1-2-11-19-14-6-4-3-5-13(14)15(18)16-9-7-12(17)8-10-16/h2-6,12,17H,1,7-11H2
InChIKeyUDVQPRJVDWDRFB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.85
Rot. Bonds4

About (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone

(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone (PubChem CID 43417500) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
PubChem CID43417500
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H19NO3/c1-2-11-19-14-6-4-3-5-13(14)15(18)16-9-7-12(17)8-10-16/h2-6,12,17H,1,7-11H2
InChIKeyUDVQPRJVDWDRFB-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 126836712
[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]-(2-prop-2-enoxyphenyl)methanone
CID 90649891
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-prop-2-enoxyphenyl)methanone
CID 120658652
3-methyl-1-(2-prop-2-enoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 102775190
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(2-prop-2-enoxyphenyl)methanone
CID 50966196
1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 43355997
(2R)-1-(2-prop-2-enoxybenzoyl)piperidine-2-carboxylic acid
CID 79035089
[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(2-prop-2-enoxyphenyl)methanone
CID 126825268

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone (CID 43417500) is (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone is C=CCOc1ccccc1C(=O)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone?
The InChIKey is UDVQPRJVDWDRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-11-19-14-6-4-3-5-13(14)15(18)16-9-7-12(17)8-10-16/h2-6,12,17H,1,7-11H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone?
(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 43417500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).