1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine

C11H13BrF2N2 — CID 107613029

IUPAC1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine
SMILESNC1CCN(c2cc(F)c(Br)cc2F)CC1
InChIInChI=1S/C11H13BrF2N2/c12-8-5-10(14)11(6-9(8)13)16-3-1-7(15)2-4-16/h5-7H,1-4,15H2
InChIKeyUFDPBNSNZKNWBO-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.65
Rot. Bonds1

About 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine

1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine (PubChem CID 107613029) has the molecular formula C11H13BrF2N2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine
PubChem CID107613029
Molecular FormulaC11H13BrF2N2
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine
SMILESNC1CCN(c2cc(F)c(Br)cc2F)CC1
InChIInChI=1S/C11H13BrF2N2/c12-8-5-10(14)11(6-9(8)13)16-3-1-7(15)2-4-16/h5-7H,1-4,15H2
InChIKeyUFDPBNSNZKNWBO-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)piperidin-4-amine
CID 43555767
1-(2,4-dibromophenyl)piperidin-4-amine
CID 61474438
1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 62809520
5-bromo-4-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 66112236
1-(4-bromo-2,5-difluorophenyl)-3-ethylazetidine
CID 107612888
4-(4-bromo-2,5-difluorophenyl)piperazine-1-carboxylic acid
CID 130302995
1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol
CID 116735284
4-bromo-5-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 116735269
1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine
CID 65435771
5-bromo-4-fluoro-2-(4-propylazepan-1-yl)aniline
CID 66111343
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
CID 106835340
2-(azocan-1-yl)-5-bromo-4-fluoroaniline
CID 66110484

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine (CID 107613029) is 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine is NC1CCN(c2cc(F)c(Br)cc2F)CC1.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine?
The InChIKey is UFDPBNSNZKNWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2/c12-8-5-10(14)11(6-9(8)13)16-3-1-7(15)2-4-16/h5-7H,1-4,15H2.
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine?
1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine has a molecular weight of 291.14 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine is sourced from PubChem (CID 107613029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).