1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

C14H22BrN3 — CID 107163192

IUPAC1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2cccc(Br)n2)CC1
InChIInChI=1S/C14H22BrN3/c1-14(6-8-18(2)9-7-14)11-16-10-12-4-3-5-13(15)17-12/h3-5,16H,6-11H2,1-2H3
InChIKeyJYTMUNRMIINUSX-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.67
Rot. Bonds4

About 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (PubChem CID 107163192) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
PubChem CID107163192
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2cccc(Br)n2)CC1
InChIInChI=1S/C14H22BrN3/c1-14(6-8-18(2)9-7-14)11-16-10-12-4-3-5-13(15)17-12/h3-5,16H,6-11H2,1-2H3
InChIKeyJYTMUNRMIINUSX-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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

N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 112582147
1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991997
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 107163357
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 103953751
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103992171
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 107163493
6-bromo-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143626
N-(3-bromophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163619
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991987
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 107163325

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (CID 107163192) is 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is CN1CCC(C)(CNCc2cccc(Br)n2)CC1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The InChIKey is JYTMUNRMIINUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-14(6-8-18(2)9-7-14)11-16-10-12-4-3-5-13(15)17-12/h3-5,16H,6-11H2,1-2H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is sourced from PubChem (CID 107163192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).