[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine

C12H18BrN3 — CID 62299979

IUPAC[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC1CCCCN1c1ncc(Br)cc1CN
InChIInChI=1S/C12H18BrN3/c1-9-4-2-3-5-16(9)12-10(7-14)6-11(13)8-15-12/h6,8-9H,2-5,7,14H2,1H3
InChIKeyDFCWSDZYOBOZGR-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.68
Rot. Bonds2

About [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine

[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 62299979) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID62299979
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC1CCCCN1c1ncc(Br)cc1CN
InChIInChI=1S/C12H18BrN3/c1-9-4-2-3-5-16(9)12-10(7-14)6-11(13)8-15-12/h6,8-9H,2-5,7,14H2,1H3
InChIKeyDFCWSDZYOBOZGR-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromo-3-pyridinyl]methanamine
CID 102728419
N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285762
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423
[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285532
[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285485
1-[5-bromo-3-(chloromethyl)-2-pyridinyl]-2,4-dimethyl-1,4-diazepane
CID 114087717
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
5-bromo-3-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
CID 55061469
[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
CID 79935278
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
CID 102967838
5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine
CID 107078920
2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 79718017

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine (CID 62299979) is [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine is CC1CCCCN1c1ncc(Br)cc1CN.
What is the InChIKey of [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is DFCWSDZYOBOZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-4-2-3-5-16(9)12-10(7-14)6-11(13)8-15-12/h6,8-9H,2-5,7,14H2,1H3.
What are the key properties of [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62299979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).