4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline

C14H20BrFN2 — CID 79549522

IUPAC4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2/c1-10(8-12-4-2-3-7-17-12)18-14-6-5-11(15)9-13(14)16/h5-6,9-10,12,17-18H,2-4,7-8H2,1H3
InChIKeyMPMCSENTJKNPFQ-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.92
Rot. Bonds4

About 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline

4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79549522) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79549522
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2/c1-10(8-12-4-2-3-7-17-12)18-14-6-5-11(15)9-13(14)16/h5-6,9-10,12,17-18H,2-4,7-8H2,1H3
InChIKeyMPMCSENTJKNPFQ-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
4-bromo-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79538410
5-bromo-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 82707999
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-6-fluoroaniline
CID 107598571
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79535891

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79549522) is 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline is CC(CC1CCCCN1)Nc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is MPMCSENTJKNPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-10(8-12-4-2-3-7-17-12)18-14-6-5-11(15)9-13(14)16/h5-6,9-10,12,17-18H,2-4,7-8H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 315.23 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79549522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).