2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine

C13H19BrClN3 — CID 103582806

IUPAC2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(c2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C13H19BrClN3/c1-16-5-2-10-3-6-18(7-4-10)13-12(15)8-11(14)9-17-13/h8-10,16H,2-7H2,1H3
InChIKeyWLLMTEBYFMCBGK-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.32
Rot. Bonds4

About 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine

2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine (PubChem CID 103582806) has the molecular formula C13H19BrClN3 and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
PubChem CID103582806
Molecular FormulaC13H19BrClN3
Molecular Weight332.67 g/mol
Exact Mass331.05
IUPAC Name2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(c2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C13H19BrClN3/c1-16-5-2-10-3-6-18(7-4-10)13-12(15)8-11(14)9-17-13/h8-10,16H,2-7H2,1H3
InChIKeyWLLMTEBYFMCBGK-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
N-[[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171690975
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
2-[1-(3-bromo-4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 104508244
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 106876147
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
2-[1-(5-iodopyrimidin-4-yl)piperidin-4-yl]-N-methylethanamine
CID 66321092
[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
CID 103584239
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine (CID 103582806) is 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(c2ncc(Br)cc2Cl)CC1.
What is the InChIKey of 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is WLLMTEBYFMCBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3/c1-16-5-2-10-3-6-18(7-4-10)13-12(15)8-11(14)9-17-13/h8-10,16H,2-7H2,1H3.
What are the key properties of 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine?
2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 332.67 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 103582806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).