N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine

C15H22F2N2 — CID 115118563

IUPACN-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
SMILESCC(C)(CNC1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2/c1-15(2,10-19-12-5-7-18-8-6-12)13-4-3-11(16)9-14(13)17/h3-4,9,12,18-19H,5-8,10H2,1-2H3
InChIKeyAGXLWGJXEBVHNO-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine

N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine (PubChem CID 115118563) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
PubChem CID115118563
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
SMILESCC(C)(CNC1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2/c1-15(2,10-19-12-5-7-18-8-6-12)13-4-3-11(16)9-14(13)17/h3-4,9,12,18-19H,5-8,10H2,1-2H3
InChIKeyAGXLWGJXEBVHNO-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118559
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118553
N-[2-methyl-2-(2-methylphenyl)propyl]piperidin-4-amine
CID 115118569
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118551
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257137
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine (CID 115118563) is N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine is CC(C)(CNC1CCNCC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine?
The InChIKey is AGXLWGJXEBVHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-15(2,10-19-12-5-7-18-8-6-12)13-4-3-11(16)9-14(13)17/h3-4,9,12,18-19H,5-8,10H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine?
N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine has a molecular weight of 268.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine is sourced from PubChem (CID 115118563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).