N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

C17H27N3 — CID 81247350

IUPACN-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(N2CCC(C)CC2C)c(CNC2CC2)cn1
InChIInChI=1S/C17H27N3/c1-12-6-7-20(14(3)8-12)17-9-13(2)18-10-15(17)11-19-16-4-5-16/h9-10,12,14,16,19H,4-8,11H2,1-3H3
InChIKeyXFJGMPULUXOCQF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.27
Rot. Bonds4

About N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81247350) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81247350
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(N2CCC(C)CC2C)c(CNC2CC2)cn1
InChIInChI=1S/C17H27N3/c1-12-6-7-20(14(3)8-12)17-9-13(2)18-10-15(17)11-19-16-4-5-16/h9-10,12,14,16,19H,4-8,11H2,1-3H3
InChIKeyXFJGMPULUXOCQF-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81253411
N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073729
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81248799
N-[[4-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254175
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81246999
N-[[6-methyl-4-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249369
N-[[6-methyl-4-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81253130
N-[[4-(3,3-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247817
N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254147
N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81253804
5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine
CID 81237792

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 81247350) is N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(N2CCC(C)CC2C)c(CNC2CC2)cn1.
What is the InChIKey of N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XFJGMPULUXOCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12-6-7-20(14(3)8-12)17-9-13(2)18-10-15(17)11-19-16-4-5-16/h9-10,12,14,16,19H,4-8,11H2,1-3H3.
What are the key properties of N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81247350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).