(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one

C14H17NO2 — CID 43415922

IUPAC(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-7,13,16H,8-11H2/b7-6+
InChIKeyBEAPCLFCORNJAQ-VOTSOKGWSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds2

About (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 43415922) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
PubChem CID43415922
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-7,13,16H,8-11H2/b7-6+
InChIKeyBEAPCLFCORNJAQ-VOTSOKGWSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
(E)-3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415977
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682
(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71786847
(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 92926170
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 78989359
(E)-3-phenyl-1-(7-phenyl-1,4-thiazepan-4-yl)prop-2-en-1-one
CID 90629393
(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934
1-cyclohexyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]urea
CID 67489628

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one (CID 43415922) is (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCC(O)CC1.
What is the InChIKey of (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is BEAPCLFCORNJAQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-8-10-15(11-9-13)14(17)7-6-12-4-2-1-3-5-12/h1-7,13,16H,8-11H2/b7-6+.
What are the key properties of (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 231.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 43415922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).