2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide

C15H21FN2O — CID 171365240

IUPAC2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide
SMILESCc1cc(C2CCNCC2)cc(F)c1C(=O)N(C)C
InChIInChI=1S/C15H21FN2O/c1-10-8-12(11-4-6-17-7-5-11)9-13(16)14(10)15(19)18(2)3/h8-9,11,17H,4-7H2,1-3H3
InChIKeyDRYYOLMHYSQURR-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.30
Rot. Bonds2

About 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide

2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide (PubChem CID 171365240) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide
PubChem CID171365240
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide
SMILESCc1cc(C2CCNCC2)cc(F)c1C(=O)N(C)C
InChIInChI=1S/C15H21FN2O/c1-10-8-12(11-4-6-17-7-5-11)9-13(16)14(10)15(19)18(2)3/h8-9,11,17H,4-7H2,1-3H3
InChIKeyDRYYOLMHYSQURR-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide?
The IUPAC name of 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide (CID 171365240) is 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide?
The canonical SMILES for 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide is Cc1cc(C2CCNCC2)cc(F)c1C(=O)N(C)C.
What is the InChIKey of 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide?
The InChIKey is DRYYOLMHYSQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-8-12(11-4-6-17-7-5-11)9-13(16)14(10)15(19)18(2)3/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide?
2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide has a molecular weight of 264.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide is sourced from PubChem (CID 171365240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).