(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine

C12H16BrClN2 — CID 171314303

IUPAC(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
SMILESN[C@@H](c1ccc(Cl)cc1Br)C1CCNCC1
InChIInChI=1S/C12H16BrClN2/c13-11-7-9(14)1-2-10(11)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2/t12-/m1/s1
InChIKeyIRQGEPCXEADHAA-GFCCVEGCSA-N
MW303.63 g/mol
LogP3.10
Rot. Bonds2

About (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine

(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine (PubChem CID 171314303) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
PubChem CID171314303
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
SMILESN[C@@H](c1ccc(Cl)cc1Br)C1CCNCC1
InChIInChI=1S/C12H16BrClN2/c13-11-7-9(14)1-2-10(11)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2/t12-/m1/s1
InChIKeyIRQGEPCXEADHAA-GFCCVEGCSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
(S)-(2-bromo-4-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257336
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314252
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276762
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
(2-bromo-4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107994562
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine (CID 171314303) is (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine is N[C@@H](c1ccc(Cl)cc1Br)C1CCNCC1.
What is the InChIKey of (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine?
The InChIKey is IRQGEPCXEADHAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrClN2/c13-11-7-9(14)1-2-10(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-4-chlorophenyl)-piperidin-4-ylmethanamine?
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine has a molecular weight of 303.63 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 171314303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).