N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C15H22BrN3 — CID 62284209

IUPACN-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCN(c2ncc(Br)cc2CNC2CC2)CC1
InChIInChI=1S/C15H22BrN3/c1-11-4-6-19(7-5-11)15-12(8-13(16)10-18-15)9-17-14-2-3-14/h8,10-11,14,17H,2-7,9H2,1H3
InChIKeyNKIJHWZWSVLURY-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.33
Rot. Bonds4

About N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62284209) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62284209
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC NameN-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCN(c2ncc(Br)cc2CNC2CC2)CC1
InChIInChI=1S/C15H22BrN3/c1-11-4-6-19(7-5-11)15-12(8-13(16)10-18-15)9-17-14-2-3-14/h8,10-11,14,17H,2-7,9H2,1H3
InChIKeyNKIJHWZWSVLURY-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62930122
N-[[5-bromo-2-(3,4-dimethoxypyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103539574
N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62292890
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936
N-[[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55059221
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216062
N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102967673

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62284209) is N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is CC1CCN(c2ncc(Br)cc2CNC2CC2)CC1.
What is the InChIKey of N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is NKIJHWZWSVLURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-11-4-6-19(7-5-11)15-12(8-13(16)10-18-15)9-17-14-2-3-14/h8,10-11,14,17H,2-7,9H2,1H3.
What are the key properties of N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 324.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62284209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).