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

C16H26BrN3 — CID 79718239

IUPACN-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Br)cnc1N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C16H26BrN3/c1-12(2)9-18-10-14-4-6-20(7-5-14)16-13(3)8-15(17)11-19-16/h8,11-12,14,18H,4-7,9-10H2,1-3H3
InChIKeyMSFHMVNGDNJSGT-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.61
Rot. Bonds5

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

N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79718239) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79718239
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC NameN-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Br)cnc1N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C16H26BrN3/c1-12(2)9-18-10-14-4-6-20(7-5-14)16-13(3)8-15(17)11-19-16/h8,11-12,14,18H,4-7,9-10H2,1-3H3
InChIKeyMSFHMVNGDNJSGT-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 114838293
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593726
2-methylpropyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 133360706
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62281374
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 79718239) is N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is Cc1cc(Br)cnc1N1CCC(CNCC(C)C)CC1.
What is the InChIKey of N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is MSFHMVNGDNJSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-12(2)9-18-10-14-4-6-20(7-5-14)16-13(3)8-15(17)11-19-16/h8,11-12,14,18H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 3.61, 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-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79718239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).