N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine

C14H22BrN3 — CID 113454150

IUPACN-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1cncc(Br)c1)N1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-12(18-5-3-2-4-6-18)8-16-9-13-7-14(15)11-17-10-13/h7,10-12,16H,2-6,8-9H2,1H3
InChIKeyNAWDKCWXNJVFMU-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.81
Rot. Bonds5

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

N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 113454150) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID113454150
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCc1cncc(Br)c1)N1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-12(18-5-3-2-4-6-18)8-16-9-13-7-14(15)11-17-10-13/h7,10-12,16H,2-6,8-9H2,1H3
InChIKeyNAWDKCWXNJVFMU-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104797141
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
CID 79831124
2-pyrrolidin-1-yl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 81422867
2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
CID 113454208
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 113454150) is N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine is CC(CNCc1cncc(Br)c1)N1CCCCC1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is NAWDKCWXNJVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-12(18-5-3-2-4-6-18)8-16-9-13-7-14(15)11-17-10-13/h7,10-12,16H,2-6,8-9H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 312.25 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-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 113454150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).