(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone

C18H23NO2 — CID 65311090

IUPAC(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(C#CCO)ccc1C
InChIInChI=1S/C18H23NO2/c1-3-16-8-4-5-11-19(16)18(21)17-13-15(7-6-12-20)10-9-14(17)2/h9-10,13,16,20H,3-5,8,11-12H2,1-2H3
InChIKeyPQKROXJPXVISBK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds2

About (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone

(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone (PubChem CID 65311090) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
PubChem CID65311090
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(C#CCO)ccc1C
InChIInChI=1S/C18H23NO2/c1-3-16-8-4-5-11-19(16)18(21)17-13-15(7-6-12-20)10-9-14(17)2/h9-10,13,16,20H,3-5,8,11-12H2,1-2H3
InChIKeyPQKROXJPXVISBK-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(2-methylazepan-1-yl)methanone
CID 65310871
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 65310484
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 102787042
(3-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 65310706
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(2-ethylpiperidin-1-yl)methanone
CID 60821735
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(4-methylazepan-1-yl)methanone
CID 65311058
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(3-methylmorpholin-4-yl)methanone
CID 65311233
[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 60815500
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone (CID 65311090) is (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone is CCC1CCCCN1C(=O)c1cc(C#CCO)ccc1C.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone?
The InChIKey is PQKROXJPXVISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-16-8-4-5-11-19(16)18(21)17-13-15(7-6-12-20)10-9-14(17)2/h9-10,13,16,20H,3-5,8,11-12H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone?
(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone has a molecular weight of 285.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone is sourced from PubChem (CID 65311090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).