2-(2-methylpent-2-en-4-ynyl)piperidine

C11H17N — CID 104855401

IUPAC2-(2-methylpent-2-en-4-ynyl)piperidine
SMILESC#CC=C(C)CC1CCCCN1
InChIInChI=1S/C11H17N/c1-3-6-10(2)9-11-7-4-5-8-12-11/h1,6,11-12H,4-5,7-9H2,2H3
InChIKeyFDGVOPZXTGRIGZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-methylpent-2-en-4-ynyl)piperidine

2-(2-methylpent-2-en-4-ynyl)piperidine (PubChem CID 104855401) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-(2-methylpent-2-en-4-ynyl)piperidine.

Molecular Properties

Compound Name2-(2-methylpent-2-en-4-ynyl)piperidine
PubChem CID104855401
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-(2-methylpent-2-en-4-ynyl)piperidine
SMILESC#CC=C(C)CC1CCCCN1
InChIInChI=1S/C11H17N/c1-3-6-10(2)9-11-7-4-5-8-12-11/h1,6,11-12H,4-5,7-9H2,2H3
InChIKeyFDGVOPZXTGRIGZ-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclohexyl-2-methylprop-2-enyl)piperidine
CID 104855420
1-piperidin-2-ylbut-3-yn-2-one
CID 165465435
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-(3,5-dimethylcyclohexyl)-2-piperidin-2-ylacetamide
CID 64734481
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
methyl 2-(azocan-2-yl)acetate
CID 86040521
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpent-2-en-4-ynyl)piperidine?
The IUPAC name of 2-(2-methylpent-2-en-4-ynyl)piperidine (CID 104855401) is 2-(2-methylpent-2-en-4-ynyl)piperidine.
What is the SMILES notation for 2-(2-methylpent-2-en-4-ynyl)piperidine?
The canonical SMILES for 2-(2-methylpent-2-en-4-ynyl)piperidine is C#CC=C(C)CC1CCCCN1.
What is the InChIKey of 2-(2-methylpent-2-en-4-ynyl)piperidine?
The InChIKey is FDGVOPZXTGRIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-6-10(2)9-11-7-4-5-8-12-11/h1,6,11-12H,4-5,7-9H2,2H3.
What are the key properties of 2-(2-methylpent-2-en-4-ynyl)piperidine?
2-(2-methylpent-2-en-4-ynyl)piperidine has a molecular weight of 163.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpent-2-en-4-ynyl)piperidine is sourced from PubChem (CID 104855401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).