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

C15H24BrN3 — CID 104798203

IUPACN-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C15H24BrN3/c1-12(2)17-9-13-5-7-19(8-6-13)11-15-4-3-14(16)10-18-15/h3-4,10,12-13,17H,5-9,11H2,1-2H3
InChIKeyXPCZEMCKSQRXNQ-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.05
Rot. Bonds5

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

N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 104798203) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID104798203
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C15H24BrN3/c1-12(2)17-9-13-5-7-19(8-6-13)11-15-4-3-14(16)10-18-15/h3-4,10,12-13,17H,5-9,11H2,1-2H3
InChIKeyXPCZEMCKSQRXNQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine (CID 104798203) is N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine is CC(C)NCC1CCN(Cc2ccc(Br)cn2)CC1.
What is the InChIKey of N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is XPCZEMCKSQRXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(2)17-9-13-5-7-19(8-6-13)11-15-4-3-14(16)10-18-15/h3-4,10,12-13,17H,5-9,11H2,1-2H3.
What are the key properties of N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine?
N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 104798203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).