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

C16H25N3 — CID 62286910

IUPACN-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCCN(c2cccc(CNC3CC3)n2)C1C
InChIInChI=1S/C16H25N3/c1-12-5-4-10-19(13(12)2)16-7-3-6-15(18-16)11-17-14-8-9-14/h3,6-7,12-14,17H,4-5,8-11H2,1-2H3
InChIKeyOAGCDKSUJUYXBT-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.96
Rot. Bonds4

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

N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62286910) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62286910
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCCN(c2cccc(CNC3CC3)n2)C1C
InChIInChI=1S/C16H25N3/c1-12-5-4-10-19(13(12)2)16-7-3-6-15(18-16)11-17-14-8-9-14/h3,6-7,12-14,17H,4-5,8-11H2,1-2H3
InChIKeyOAGCDKSUJUYXBT-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 62286910) is N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CC1CCCN(c2cccc(CNC3CC3)n2)C1C.
What is the InChIKey of N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is OAGCDKSUJUYXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-5-4-10-19(13(12)2)16-7-3-6-15(18-16)11-17-14-8-9-14/h3,6-7,12-14,17H,4-5,8-11H2,1-2H3.
What are the key properties of N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62286910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).