N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine

C16H24F2N2 — CID 79548685

IUPACN-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-11(9-14-5-3-4-8-19-14)20-12(2)13-6-7-15(17)16(18)10-13/h6-7,10-12,14,19-20H,3-5,8-9H2,1-2H3
InChIKeyVWNFSLIBHXVRKD-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.54
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine

N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79548685) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79548685
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-11(9-14-5-3-4-8-19-14)20-12(2)13-6-7-15(17)16(18)10-13/h6-7,10-12,14,19-20H,3-5,8-9H2,1-2H3
InChIKeyVWNFSLIBHXVRKD-UHFFFAOYSA-N
XLogP3.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79537731
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine (CID 79548685) is N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is VWNFSLIBHXVRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-11(9-14-5-3-4-8-19-14)20-12(2)13-6-7-15(17)16(18)10-13/h6-7,10-12,14,19-20H,3-5,8-9H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine?
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 282.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79548685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).