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

C15H23BrClN3 — CID 114838293

IUPACN-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(c2ncc(Cl)cc2Br)CC1
InChIInChI=1S/C15H23BrClN3/c1-11(2)8-18-9-12-3-5-20(6-4-12)15-14(16)7-13(17)10-19-15/h7,10-12,18H,3-6,8-9H2,1-2H3
InChIKeyBZOYSXOOQBAPQG-UHFFFAOYSA-N
MW360.73 g/mol
LogP3.96
Rot. Bonds5

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

N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114838293) has the molecular formula C15H23BrClN3 and a molecular weight of 360.73 g/mol. Its IUPAC name is N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID114838293
Molecular FormulaC15H23BrClN3
Molecular Weight360.73 g/mol
Exact Mass359.08
IUPAC NameN-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(c2ncc(Cl)cc2Br)CC1
InChIInChI=1S/C15H23BrClN3/c1-11(2)8-18-9-12-3-5-20(6-4-12)15-14(16)7-13(17)10-19-15/h7,10-12,18H,3-6,8-9H2,1-2H3
InChIKeyBZOYSXOOQBAPQG-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 79718239
2-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 114836313
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylazepane
CID 114837143
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 79734168
3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine
CID 114838653
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690791
[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol
CID 100693917
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593726
4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine
CID 99789373
1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
CID 114836322
2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine
CID 62593018

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 114838293) is N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(c2ncc(Cl)cc2Br)CC1.
What is the InChIKey of N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BZOYSXOOQBAPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClN3/c1-11(2)8-18-9-12-3-5-20(6-4-12)15-14(16)7-13(17)10-19-15/h7,10-12,18H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 360.73 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114838293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).