(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine

C13H19BrN2 — CID 99717486

IUPAC(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
SMILESCc1ccc(CN2CCC[C@@H](N)C2)cc1Br
InChIInChI=1S/C13H19BrN2/c1-10-4-5-11(7-13(10)14)8-16-6-2-3-12(15)9-16/h4-5,7,12H,2-3,6,8-9,15H2,1H3/t12-/m1/s1
InChIKeyZZIQMLKSEBGFGJ-GFCCVEGCSA-N
MW283.21 g/mol
LogP2.68
Rot. Bonds2

About (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine

(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine (PubChem CID 99717486) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
PubChem CID99717486
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
SMILESCc1ccc(CN2CCC[C@@H](N)C2)cc1Br
InChIInChI=1S/C13H19BrN2/c1-10-4-5-11(7-13(10)14)8-16-6-2-3-12(15)9-16/h4-5,7,12H,2-3,6,8-9,15H2,1H3/t12-/m1/s1
InChIKeyZZIQMLKSEBGFGJ-GFCCVEGCSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120846008
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
1-[(4-bromo-3-nitrophenyl)methyl]piperidin-3-amine
CID 115558460
1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910098
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120845998
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 120836214
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
CID 102977244
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine (CID 99717486) is (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine is Cc1ccc(CN2CCC[C@@H](N)C2)cc1Br.
What is the InChIKey of (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine?
The InChIKey is ZZIQMLKSEBGFGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-4-5-11(7-13(10)14)8-16-6-2-3-12(15)9-16/h4-5,7,12H,2-3,6,8-9,15H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine?
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 99717486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).