1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone

C16H21FN2O — CID 19709527

IUPAC1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone
SMILESCC1(C)CCCN(C(=O)C/N=C/c2ccccc2F)C1
InChIInChI=1S/C16H21FN2O/c1-16(2)8-5-9-19(12-16)15(20)11-18-10-13-6-3-4-7-14(13)17/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3/b18-10+
InChIKeyPWHZASQHYYSTLP-VCHYOVAHSA-N
MW276.35 g/mol
LogP2.89
Rot. Bonds3

About 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone

1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone (PubChem CID 19709527) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone
PubChem CID19709527
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone
SMILESCC1(C)CCCN(C(=O)C/N=C/c2ccccc2F)C1
InChIInChI=1S/C16H21FN2O/c1-16(2)8-5-9-19(12-16)15(20)11-18-10-13-6-3-4-7-14(13)17/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3/b18-10+
InChIKeyPWHZASQHYYSTLP-VCHYOVAHSA-N
XLogP2.89
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone?
The IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone (CID 19709527) is 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone.
What is the SMILES notation for 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone?
The canonical SMILES for 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone is CC1(C)CCCN(C(=O)C/N=C/c2ccccc2F)C1.
What is the InChIKey of 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone?
The InChIKey is PWHZASQHYYSTLP-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-16(2)8-5-9-19(12-16)15(20)11-18-10-13-6-3-4-7-14(13)17/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3/b18-10+.
What are the key properties of 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone?
1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone has a molecular weight of 276.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylideneamino]ethanone is sourced from PubChem (CID 19709527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).