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

C15H24BrN3 — CID 62281374

IUPACN-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Br)cnc1N1CCCCC1
InChIInChI=1S/C15H24BrN3/c1-12(2)9-17-10-13-8-14(16)11-18-15(13)19-6-4-3-5-7-19/h8,11-12,17H,3-7,9-10H2,1-2H3
InChIKeyAZNLAVOIQDJFEK-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.58
Rot. Bonds5

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

N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 62281374) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID62281374
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Br)cnc1N1CCCCC1
InChIInChI=1S/C15H24BrN3/c1-12(2)9-17-10-13-8-14(16)11-18-15(13)19-6-4-3-5-7-19/h8,11-12,17H,3-7,9-10H2,1-2H3
InChIKeyAZNLAVOIQDJFEK-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288380
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285762
N-[(5-bromo-2-pyrazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294142
N-[[5-bromo-2-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62287917
N-[[5-bromo-2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279135
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62297526
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62292648
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423
N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63489661

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine (CID 62281374) is N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Br)cnc1N1CCCCC1.
What is the InChIKey of N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is AZNLAVOIQDJFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(2)9-17-10-13-8-14(16)11-18-15(13)19-6-4-3-5-7-19/h8,11-12,17H,3-7,9-10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62281374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).