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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
CID 115622436
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 104813876
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251

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).