N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine

C16H26BrN3 — CID 104798210

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C16H26BrN3/c1-13(2)8-18-9-14-3-5-20(6-4-14)12-15-7-16(17)11-19-10-15/h7,10-11,13-14,18H,3-6,8-9,12H2,1-2H3
InChIKeyDSIJUFDEYVUBBN-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.30
Rot. Bonds6

About N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104798210) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID104798210
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C16H26BrN3/c1-13(2)8-18-9-14-3-5-20(6-4-14)12-15-7-16(17)11-19-10-15/h7,10-11,13-14,18H,3-6,8-9,12H2,1-2H3
InChIKeyDSIJUFDEYVUBBN-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 79718239
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
CID 63849817
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282
N-[[1-[(5-bromo-3-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 104811698
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 104798210) is N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(Cc2cncc(Br)c2)CC1.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DSIJUFDEYVUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-13(2)8-18-9-14-3-5-20(6-4-14)12-15-7-16(17)11-19-10-15/h7,10-11,13-14,18H,3-6,8-9,12H2,1-2H3.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 3.30, 6 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]-2-methylpropan-1-amine is sourced from PubChem (CID 104798210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).