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

C14H22BrN3 — CID 106876147

IUPAC2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(c2nccc(C)c2Br)CC1
InChIInChI=1S/C14H22BrN3/c1-11-3-8-17-14(13(11)15)18-9-5-12(6-10-18)4-7-16-2/h3,8,12,16H,4-7,9-10H2,1-2H3
InChIKeyYHXRZVOXFUTUGW-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.98
Rot. Bonds4

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

2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine (PubChem CID 106876147) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
PubChem CID106876147
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(c2nccc(C)c2Br)CC1
InChIInChI=1S/C14H22BrN3/c1-11-3-8-17-14(13(11)15)18-9-5-12(6-10-18)4-7-16-2/h3,8,12,16H,4-7,9-10H2,1-2H3
InChIKeyYHXRZVOXFUTUGW-UHFFFAOYSA-N
XLogP2.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
2-[1-(3-bromo-4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 104508244
2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 103582806
2-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 113452072
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257846
1-(3-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 106876419
2-[1-(5-iodopyrimidin-4-yl)piperidin-4-yl]-N-methylethanamine
CID 66321092
1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine
CID 106876171
N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine
CID 104540865

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine (CID 106876147) is 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(c2nccc(C)c2Br)CC1.
What is the InChIKey of 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is YHXRZVOXFUTUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11-3-8-17-14(13(11)15)18-9-5-12(6-10-18)4-7-16-2/h3,8,12,16H,4-7,9-10H2,1-2H3.
What are the key properties of 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine?
2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 312.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 106876147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).