N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine

C13H18F2N2 — CID 115043703

IUPACN-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine
SMILESCC(F)(F)c1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C13H18F2N2/c1-13(14,15)10-2-4-11(5-3-10)17-12-6-8-16-9-7-12/h2-5,12,16-17H,6-9H2,1H3
InChIKeyUUGKWZUFXFRRHE-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.96
Rot. Bonds3

About N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine

N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine (PubChem CID 115043703) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine
PubChem CID115043703
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine
SMILESCC(F)(F)c1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C13H18F2N2/c1-13(14,15)10-2-4-11(5-3-10)17-12-6-8-16-9-7-12/h2-5,12,16-17H,6-9H2,1H3
InChIKeyUUGKWZUFXFRRHE-UHFFFAOYSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine?
The IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine (CID 115043703) is N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine is CC(F)(F)c1ccc(NC2CCNCC2)cc1.
What is the InChIKey of N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine?
The InChIKey is UUGKWZUFXFRRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-13(14,15)10-2-4-11(5-3-10)17-12-6-8-16-9-7-12/h2-5,12,16-17H,6-9H2,1H3.
What are the key properties of N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine?
N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine has a molecular weight of 240.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 115043703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).