(4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone

C17H22N2O2 — CID 63161909

IUPAC(4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
SMILESCCC1(C)CCN(C(=O)c2ccc(C#CCO)cn2)CC1
InChIInChI=1S/C17H22N2O2/c1-3-17(2)8-10-19(11-9-17)16(21)15-7-6-14(13-18-15)5-4-12-20/h6-7,13,20H,3,8-12H2,1-2H3
InChIKeyPZSQPQASLQSIJX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.08
Rot. Bonds2

About (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone

(4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone (PubChem CID 63161909) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
PubChem CID63161909
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
SMILESCCC1(C)CCN(C(=O)c2ccc(C#CCO)cn2)CC1
InChIInChI=1S/C17H22N2O2/c1-3-17(2)8-10-19(11-9-17)16(21)15-7-6-14(13-18-15)5-4-12-20/h6-7,13,20H,3,8-12H2,1-2H3
InChIKeyPZSQPQASLQSIJX-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627770
(4-ethyl-4-methylpiperidin-1-yl)-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 63161864
(4-ethyl-4-methylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436346
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107458089
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964022
4-[5-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1,4-diazepan-2-one
CID 65363470
(3-ethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 62960406
3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 113229540
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
CID 65281399
5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 62959360
1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63724192
(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 63161790

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The IUPAC name of (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone (CID 63161909) is (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone is CCC1(C)CCN(C(=O)c2ccc(C#CCO)cn2)CC1.
What is the InChIKey of (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The InChIKey is PZSQPQASLQSIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-17(2)8-10-19(11-9-17)16(21)15-7-6-14(13-18-15)5-4-12-20/h6-7,13,20H,3,8-12H2,1-2H3.
What are the key properties of (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
(4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone has a molecular weight of 286.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone is sourced from PubChem (CID 63161909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).