N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane

C15H27N3O2 — CID 143811544

IUPACN-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane
SMILESCC.COc1cnc(CNC2CCNCC2)cc1OC
InChIInChI=1S/C13H21N3O2.C2H6/c1-17-12-7-11(16-9-13(12)18-2)8-15-10-3-5-14-6-4-10;1-2/h7,9-10,14-15H,3-6,8H2,1-2H3;1-2H3
InChIKeyVGZJZMAZUOJUMT-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.97
Rot. Bonds5

About N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane

N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane (PubChem CID 143811544) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane
PubChem CID143811544
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane
SMILESCC.COc1cnc(CNC2CCNCC2)cc1OC
InChIInChI=1S/C13H21N3O2.C2H6/c1-17-12-7-11(16-9-13(12)18-2)8-15-10-3-5-14-6-4-10;1-2/h7,9-10,14-15H,3-6,8H2,1-2H3;1-2H3
InChIKeyVGZJZMAZUOJUMT-UHFFFAOYSA-N
XLogP1.97
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane?
The IUPAC name of N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane (CID 143811544) is N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane.
What is the SMILES notation for N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane?
The canonical SMILES for N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane is CC.COc1cnc(CNC2CCNCC2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane?
The InChIKey is VGZJZMAZUOJUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.C2H6/c1-17-12-7-11(16-9-13(12)18-2)8-15-10-3-5-14-6-4-10;1-2/h7,9-10,14-15H,3-6,8H2,1-2H3;1-2H3.
What are the key properties of N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane?
N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane has a molecular weight of 281.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-pyridinyl)methyl]piperidin-4-amine;ethane is sourced from PubChem (CID 143811544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).