(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine

C12H16BrFN2 — CID 171314252

IUPAC(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
SMILESN[C@@H](c1cc(F)ccc1Br)C1CCNCC1
InChIInChI=1S/C12H16BrFN2/c13-11-2-1-9(14)7-10(11)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2/t12-/m1/s1
InChIKeyVEKKWISQOLRUKE-GFCCVEGCSA-N
MW287.18 g/mol
LogP2.59
Rot. Bonds2

About (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine

(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine (PubChem CID 171314252) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
PubChem CID171314252
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
SMILESN[C@@H](c1cc(F)ccc1Br)C1CCNCC1
InChIInChI=1S/C12H16BrFN2/c13-11-2-1-9(14)7-10(11)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2/t12-/m1/s1
InChIKeyVEKKWISQOLRUKE-GFCCVEGCSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
(2-bromo-5-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016281
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
4-(2-bromo-5-fluorophenyl)piperidine
CID 84709377

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine (CID 171314252) is (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine is N[C@@H](c1cc(F)ccc1Br)C1CCNCC1.
What is the InChIKey of (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine?
The InChIKey is VEKKWISQOLRUKE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-11-2-1-9(14)7-10(11)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2/t12-/m1/s1.
What are the key properties of (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine?
(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine has a molecular weight of 287.18 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 171314252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).