3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one

C18H25NO — CID 12688218

IUPAC3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one
SMILESC=CC(C)(C)C(C(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H25NO/c1-4-18(2,3)17(19-13-9-6-10-14-19)16(20)15-11-7-5-8-12-15/h4-5,7-8,11-12,17H,1,6,9-10,13-14H2,2-3H3
InChIKeyNARNRQKEVSKHCO-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.94
Rot. Bonds5

About 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one

3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one (PubChem CID 12688218) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one
PubChem CID12688218
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one
SMILESC=CC(C)(C)C(C(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H25NO/c1-4-18(2,3)17(19-13-9-6-10-14-19)16(20)15-11-7-5-8-12-15/h4-5,7-8,11-12,17H,1,6,9-10,13-14H2,2-3H3
InChIKeyNARNRQKEVSKHCO-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methadone
CID 4095
Tolperisone
CID 5511
Melperone
CID 15387
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Eperisone
CID 3236
Monomethylpropion
CID 1576
Tolperisone Hydrochloride
CID 92965
Levomethadone
CID 22267
Metamfepramone
CID 71872
Alpha-Pyrrolidinopentiophenone
CID 11148955
Pyrovalerone
CID 14373

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one?
The IUPAC name of 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one (CID 12688218) is 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one?
The canonical SMILES for 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one is C=CC(C)(C)C(C(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one?
The InChIKey is NARNRQKEVSKHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-18(2,3)17(19-13-9-6-10-14-19)16(20)15-11-7-5-8-12-15/h4-5,7-8,11-12,17H,1,6,9-10,13-14H2,2-3H3.
What are the key properties of 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one?
3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-2-piperidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 12688218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).