N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine

C15H22BrN3 — CID 104798204

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESBrc1cncc(CN2CCC(CNC3CC3)CC2)c1
InChIInChI=1S/C15H22BrN3/c16-14-7-13(8-17-10-14)11-19-5-3-12(4-6-19)9-18-15-1-2-15/h7-8,10,12,15,18H,1-6,9,11H2
InChIKeyTZZUKEUEBJVVTH-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.81
Rot. Bonds5

About N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine

N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 104798204) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
PubChem CID104798204
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
SMILESBrc1cncc(CN2CCC(CNC3CC3)CC2)c1
InChIInChI=1S/C15H22BrN3/c16-14-7-13(8-17-10-14)11-19-5-3-12(4-6-19)9-18-15-1-2-15/h7-8,10,12,15,18H,1-6,9,11H2
InChIKeyTZZUKEUEBJVVTH-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[(3-bromo-5-fluorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926791
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 113455948
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171993882

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine (CID 104798204) is N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine is Brc1cncc(CN2CCC(CNC3CC3)CC2)c1.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is TZZUKEUEBJVVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c16-14-7-13(8-17-10-14)11-19-5-3-12(4-6-19)9-18-15-1-2-15/h7-8,10,12,15,18H,1-6,9,11H2.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 324.27 g/mol, XLogP of 2.81, 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-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104798204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).