N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine

C16H24BrN3O — CID 62297872

IUPACN-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESBrc1cnc(OCCN2CCCCC2)c(CNC2CC2)c1
InChIInChI=1S/C16H24BrN3O/c17-14-10-13(11-18-15-4-5-15)16(19-12-14)21-9-8-20-6-2-1-3-7-20/h10,12,15,18H,1-9,11H2
InChIKeyZCYKAABOBFQSNT-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.96
Rot. Bonds7

About N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62297872) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62297872
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESBrc1cnc(OCCN2CCCCC2)c(CNC2CC2)c1
InChIInChI=1S/C16H24BrN3O/c17-14-10-13(11-18-15-4-5-15)16(19-12-14)21-9-8-20-6-2-1-3-7-20/h10,12,15,18H,1-9,11H2
InChIKeyZCYKAABOBFQSNT-UHFFFAOYSA-N
XLogP2.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297369
N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297538
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62297526
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
N-[[5-bromo-2-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 62298219
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
N-[[5-bromo-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323498
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 65125438
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62297872) is N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine is Brc1cnc(OCCN2CCCCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZCYKAABOBFQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c17-14-10-13(11-18-15-4-5-15)16(19-12-14)21-9-8-20-6-2-1-3-7-20/h10,12,15,18H,1-9,11H2.
What are the key properties of N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 354.29 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62297872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).