(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone

C18H23NO2 — CID 60816372

IUPAC(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C18H23NO2/c1-14-6-5-7-15(2)19(14)18(21)17-11-9-16(10-12-17)8-3-4-13-20/h9-12,14-15,20H,4-7,13H2,1-2H3
InChIKeyROMFUVWFJSTCGH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.82
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone

(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone (PubChem CID 60816372) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone
PubChem CID60816372
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C18H23NO2/c1-14-6-5-7-15(2)19(14)18(21)17-11-9-16(10-12-17)8-3-4-13-20/h9-12,14-15,20H,4-7,13H2,1-2H3
InChIKeyROMFUVWFJSTCGH-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone (CID 60816372) is (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone is CC1CCCC(C)N1C(=O)c1ccc(C#CCCO)cc1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone?
The InChIKey is ROMFUVWFJSTCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-6-5-7-15(2)19(14)18(21)17-11-9-16(10-12-17)8-3-4-13-20/h9-12,14-15,20H,4-7,13H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone?
(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone has a molecular weight of 285.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone is sourced from PubChem (CID 60816372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).