4-[3-(2,4-difluorophenyl)propyl]piperidine

C14H19F2N — CID 21180653

IUPAC4-[3-(2,4-difluorophenyl)propyl]piperidine
SMILESFc1ccc(CCCC2CCNCC2)c(F)c1
InChIInChI=1S/C14H19F2N/c15-13-5-4-12(14(16)10-13)3-1-2-11-6-8-17-9-7-11/h4-5,10-11,17H,1-3,6-9H2
InChIKeyDCQWVSZECWNGTD-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.29
Rot. Bonds4

About 4-[3-(2,4-difluorophenyl)propyl]piperidine

4-[3-(2,4-difluorophenyl)propyl]piperidine (PubChem CID 21180653) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[3-(2,4-difluorophenyl)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(2,4-difluorophenyl)propyl]piperidine
PubChem CID21180653
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[3-(2,4-difluorophenyl)propyl]piperidine
SMILESFc1ccc(CCCC2CCNCC2)c(F)c1
InChIInChI=1S/C14H19F2N/c15-13-5-4-12(14(16)10-13)3-1-2-11-6-8-17-9-7-11/h4-5,10-11,17H,1-3,6-9H2
InChIKeyDCQWVSZECWNGTD-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-difluorophenyl)propyl]piperidine?
The IUPAC name of 4-[3-(2,4-difluorophenyl)propyl]piperidine (CID 21180653) is 4-[3-(2,4-difluorophenyl)propyl]piperidine.
What is the SMILES notation for 4-[3-(2,4-difluorophenyl)propyl]piperidine?
The canonical SMILES for 4-[3-(2,4-difluorophenyl)propyl]piperidine is Fc1ccc(CCCC2CCNCC2)c(F)c1.
What is the InChIKey of 4-[3-(2,4-difluorophenyl)propyl]piperidine?
The InChIKey is DCQWVSZECWNGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-13-5-4-12(14(16)10-13)3-1-2-11-6-8-17-9-7-11/h4-5,10-11,17H,1-3,6-9H2.
What are the key properties of 4-[3-(2,4-difluorophenyl)propyl]piperidine?
4-[3-(2,4-difluorophenyl)propyl]piperidine has a molecular weight of 239.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-difluorophenyl)propyl]piperidine is sourced from PubChem (CID 21180653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).