5-methyl-1-piperidin-4-ylhex-5-en-3-one

C12H21NO — CID 116563470

IUPAC5-methyl-1-piperidin-4-ylhex-5-en-3-one
SMILESC=C(C)CC(=O)CCC1CCNCC1
InChIInChI=1S/C12H21NO/c1-10(2)9-12(14)4-3-11-5-7-13-8-6-11/h11,13H,1,3-9H2,2H3
InChIKeyNVKWIRSMKXPTME-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.30
Rot. Bonds5

About 5-methyl-1-piperidin-4-ylhex-5-en-3-one

5-methyl-1-piperidin-4-ylhex-5-en-3-one (PubChem CID 116563470) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-ylhex-5-en-3-one.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-ylhex-5-en-3-one
PubChem CID116563470
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-methyl-1-piperidin-4-ylhex-5-en-3-one
SMILESC=C(C)CC(=O)CCC1CCNCC1
InChIInChI=1S/C12H21NO/c1-10(2)9-12(14)4-3-11-5-7-13-8-6-11/h11,13H,1,3-9H2,2H3
InChIKeyNVKWIRSMKXPTME-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-(piperidin-4-yl)prop-2-en-1-one
CID 116547599
1-Piperidin-4-ylhexan-1-one
CID 20735216
1-Piperidin-4-ylpent-4-en-1-one
CID 20735218
3-Methyl-1-piperidin-4-ylbut-3-en-1-one
CID 20735305
2-Methyl-1-(6-methylpiperidin-2-yl)but-3-en-1-one;hydrochloride
CID 22620151
2-Methyl-1-(6-methylpiperidin-2-yl)but-3-en-1-one
CID 22620152
4-Methyl-1-piperidin-3-ylpentan-2-one
CID 58333620
2-methyl-1-[(2S,6R)-6-methylpiperidin-2-yl]but-3-en-1-one
CID 67498470
2-methyl-1-[(2S,6R)-6-methylpiperidin-2-yl]but-3-en-1-one;hydrochloride
CID 67499229
3-Oct-1-en-4-ylpiperidin-4-one
CID 69353919
1-Piperidin-4-yloctan-3-one
CID 69568686
3,5-Bis(prop-2-enyl)piperidin-4-one
CID 69778478

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-ylhex-5-en-3-one?
The IUPAC name of 5-methyl-1-piperidin-4-ylhex-5-en-3-one (CID 116563470) is 5-methyl-1-piperidin-4-ylhex-5-en-3-one.
What is the SMILES notation for 5-methyl-1-piperidin-4-ylhex-5-en-3-one?
The canonical SMILES for 5-methyl-1-piperidin-4-ylhex-5-en-3-one is C=C(C)CC(=O)CCC1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-ylhex-5-en-3-one?
The InChIKey is NVKWIRSMKXPTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)9-12(14)4-3-11-5-7-13-8-6-11/h11,13H,1,3-9H2,2H3.
What are the key properties of 5-methyl-1-piperidin-4-ylhex-5-en-3-one?
5-methyl-1-piperidin-4-ylhex-5-en-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-ylhex-5-en-3-one is sourced from PubChem (CID 116563470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).