[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine

C12H18BrN3 — CID 97165519

IUPAC[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(Cc2ccc(Br)nc2)C1
InChIInChI=1S/C12H18BrN3/c13-12-4-3-11(7-15-12)9-16-5-1-2-10(6-14)8-16/h3-4,7,10H,1-2,5-6,8-9,14H2/t10-/m1/s1
InChIKeyNVZSNVNZKMKMPR-SNVBAGLBSA-N
MW284.20 g/mol
LogP2.01
Rot. Bonds3

About [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine

[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine (PubChem CID 97165519) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
PubChem CID97165519
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(Cc2ccc(Br)nc2)C1
InChIInChI=1S/C12H18BrN3/c13-12-4-3-11(7-15-12)9-16-5-1-2-10(6-14)8-16/h3-4,7,10H,1-2,5-6,8-9,14H2/t10-/m1/s1
InChIKeyNVZSNVNZKMKMPR-SNVBAGLBSA-N
XLogP2.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 97169637
[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 71650079
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 71644395
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915534
tert-butyl N-[[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174474
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
CID 129493697
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine (CID 97165519) is [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine is NC[C@H]1CCCN(Cc2ccc(Br)nc2)C1.
What is the InChIKey of [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is NVZSNVNZKMKMPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-12-4-3-11(7-15-12)9-16-5-1-2-10(6-14)8-16/h3-4,7,10H,1-2,5-6,8-9,14H2/t10-/m1/s1.
What are the key properties of [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine?
[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 97165519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).