(1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine

C21H25FN2 — CID 143417110

IUPAC(1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine
SMILESCN/C=C1/CCCC(c2ccc(F)cc2-c2ccc(C)cc2)N1C
InChIInChI=1S/C21H25FN2/c1-15-7-9-16(10-8-15)20-13-17(22)11-12-19(20)21-6-4-5-18(14-23-2)24(21)3/h7-14,21,23H,4-6H2,1-3H3/b18-14-
InChIKeyJYEICDZMHQQFPY-JXAWBTAJSA-N
MW324.44 g/mol
LogP5.02
Rot. Bonds3

About (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine

(1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine (PubChem CID 143417110) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine.

Molecular Properties

Compound Name(1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine
PubChem CID143417110
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name(1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine
SMILESCN/C=C1/CCCC(c2ccc(F)cc2-c2ccc(C)cc2)N1C
InChIInChI=1S/C21H25FN2/c1-15-7-9-16(10-8-15)20-13-17(22)11-12-19(20)21-6-4-5-18(14-23-2)24(21)3/h7-14,21,23H,4-6H2,1-3H3/b18-14-
InChIKeyJYEICDZMHQQFPY-JXAWBTAJSA-N
XLogP5.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine?
The IUPAC name of (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine (CID 143417110) is (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine.
What is the SMILES notation for (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine?
The canonical SMILES for (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine is CN/C=C1/CCCC(c2ccc(F)cc2-c2ccc(C)cc2)N1C.
What is the InChIKey of (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine?
The InChIKey is JYEICDZMHQQFPY-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H25FN2/c1-15-7-9-16(10-8-15)20-13-17(22)11-12-19(20)21-6-4-5-18(14-23-2)24(21)3/h7-14,21,23H,4-6H2,1-3H3/b18-14-.
What are the key properties of (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine?
(1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine has a molecular weight of 324.44 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine is sourced from PubChem (CID 143417110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).