1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea

C14H19F2N3O — CID 6466779

IUPAC1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O/c15-11-4-5-13(12(16)10-11)18-14(20)17-6-9-19-7-2-1-3-8-19/h4-5,10H,1-3,6-9H2,(H2,17,18,20)
InChIKeyDEJJPGQKIFVTEL-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.57
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea

1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6466779) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6466779
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O/c15-11-4-5-13(12(16)10-11)18-14(20)17-6-9-19-7-2-1-3-8-19/h4-5,10H,1-3,6-9H2,(H2,17,18,20)
InChIKeyDEJJPGQKIFVTEL-UHFFFAOYSA-N
XLogP2.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6466779) is 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is DEJJPGQKIFVTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-11-4-5-13(12(16)10-11)18-14(20)17-6-9-19-7-2-1-3-8-19/h4-5,10H,1-3,6-9H2,(H2,17,18,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 283.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6466779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).