(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone

C18H23NO2 — CID 63161864

IUPAC(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
SMILESCCC1(C)CCN(C(=O)c2ccccc2C#CCO)CC1
InChIInChI=1S/C18H23NO2/c1-3-18(2)10-12-19(13-11-18)17(21)16-9-5-4-7-15(16)8-6-14-20/h4-5,7,9,20H,3,10-14H2,1-2H3
InChIKeyBZHUAKWXJAMJPF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds2

About (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone

(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone (PubChem CID 63161864) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
PubChem CID63161864
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
SMILESCCC1(C)CCN(C(=O)c2ccccc2C#CCO)CC1
InChIInChI=1S/C18H23NO2/c1-3-18(2)10-12-19(13-11-18)17(21)16-9-5-4-7-15(16)8-6-14-20/h4-5,7,9,20H,3,10-14H2,1-2H3
InChIKeyBZHUAKWXJAMJPF-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

(4-hydroxy-4-methylazepan-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 107407252
(4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 63161909
1,3-dihydroisoindol-2-yl-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 62230372
(3,3-dimethylpyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522862
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 115561106
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177
(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
CID 119945515
[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162009
piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone
CID 101009068
azepan-1-yl-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 81111561
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
(2-bromo-5-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 81109492

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The IUPAC name of (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone (CID 63161864) is (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone.
What is the SMILES notation for (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The canonical SMILES for (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone is CCC1(C)CCN(C(=O)c2ccccc2C#CCO)CC1.
What is the InChIKey of (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The InChIKey is BZHUAKWXJAMJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-18(2)10-12-19(13-11-18)17(21)16-9-5-4-7-15(16)8-6-14-20/h4-5,7,9,20H,3,10-14H2,1-2H3.
What are the key properties of (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone?
(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone has a molecular weight of 285.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone is sourced from PubChem (CID 63161864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).