(R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride

C12H17BrClFN2 — CID 171314298

IUPAC(R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1c(F)cccc1Br)C1CCNCC1
InChIInChI=1S/C12H16BrFN2.ClH/c13-9-2-1-3-10(14)11(9)12(15)8-4-6-16-7-5-8;/h1-3,8,12,16H,4-7,15H2;1H/t12-;/m1./s1
InChIKeyWIGDIBWOFQAUTM-UTONKHPSSA-N
MW323.64 g/mol
LogP3.01
Rot. Bonds2

About (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314298) has the molecular formula C12H17BrClFN2 and a molecular weight of 323.64 g/mol. Its IUPAC name is (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314298
Molecular FormulaC12H17BrClFN2
Molecular Weight323.64 g/mol
Exact Mass322.02
IUPAC Name(R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1c(F)cccc1Br)C1CCNCC1
InChIInChI=1S/C12H16BrFN2.ClH/c13-9-2-1-3-10(14)11(9)12(15)8-4-6-16-7-5-8;/h1-3,8,12,16H,4-7,15H2;1H/t12-;/m1./s1
InChIKeyWIGDIBWOFQAUTM-UTONKHPSSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.64
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-piperidin-4-yl-(2,4,6-trifluorophenyl)methanamine;hydrochloride
CID 171314352
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
CID 131145671
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314252
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253038
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314298) is (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride is Cl.N[C@@H](c1c(F)cccc1Br)C1CCNCC1.
What is the InChIKey of (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is WIGDIBWOFQAUTM-UTONKHPSSA-N. The full InChI is InChI=1S/C12H16BrFN2.ClH/c13-9-2-1-3-10(14)11(9)12(15)8-4-6-16-7-5-8;/h1-3,8,12,16H,4-7,15H2;1H/t12-;/m1./s1.
What are the key properties of (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 323.64 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-6-fluorophenyl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).