N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine

C16H24F2N2 — CID 43203819

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCC(NCCCN1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H24F2N2/c1-13(15-12-14(17)6-7-16(15)18)19-8-5-11-20-9-3-2-4-10-20/h6-7,12-13,19H,2-5,8-11H2,1H3
InChIKeyOYICSOKFZWHVFH-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine

N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 43203819) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID43203819
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCC(NCCCN1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H24F2N2/c1-13(15-12-14(17)6-7-16(15)18)19-8-5-11-20-9-3-2-4-10-20/h6-7,12-13,19H,2-5,8-11H2,1H3
InChIKeyOYICSOKFZWHVFH-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203398
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 81296835
N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43768220
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-[1-(2,5-difluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115720905
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine (CID 43203819) is N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine is CC(NCCCN1CCCCC1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is OYICSOKFZWHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-13(15-12-14(17)6-7-16(15)18)19-8-5-11-20-9-3-2-4-10-20/h6-7,12-13,19H,2-5,8-11H2,1H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 282.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 43203819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).