2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one

C13H23NO — CID 116611253

IUPAC2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
SMILESC=C(C)CC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C13H23NO/c1-10(2)8-12(15)13(3,4)11-6-5-7-14-9-11/h11,14H,1,5-9H2,2-4H3
InChIKeyYJTQGSOLKGLVRI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.55
Rot. Bonds4

About 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one

2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one (PubChem CID 116611253) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one.

Molecular Properties

Compound Name2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
PubChem CID116611253
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
SMILESC=C(C)CC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C13H23NO/c1-10(2)8-12(15)13(3,4)11-6-5-7-14-9-11/h11,14H,1,5-9H2,2-4H3
InChIKeyYJTQGSOLKGLVRI-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.55
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

2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611207
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one
CID 116611228
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
4-methyl-1-methylsulfonyl-4-piperidin-3-ylpentan-3-one
CID 116611269
2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032
3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198568
N',N',2-trimethyl-2-piperidin-3-ylpropanehydrazide
CID 83199911
methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate
CID 83199461
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one?
The IUPAC name of 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one (CID 116611253) is 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one.
What is the SMILES notation for 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one?
The canonical SMILES for 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one is C=C(C)CC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one?
The InChIKey is YJTQGSOLKGLVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)8-12(15)13(3,4)11-6-5-7-14-9-11/h11,14H,1,5-9H2,2-4H3.
What are the key properties of 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one?
2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one is sourced from PubChem (CID 116611253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).