N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine

C16H27N3O2 — CID 103173279

IUPACN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2nccc(OC)c2OC)C1
InChIInChI=1S/C16H27N3O2/c1-4-17-10-13-6-5-9-19(11-13)12-14-16(21-3)15(20-2)7-8-18-14/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyRUOSMNJHALUAIT-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.92
Rot. Bonds7

About N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine

N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 103173279) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
PubChem CID103173279
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2nccc(OC)c2OC)C1
InChIInChI=1S/C16H27N3O2/c1-4-17-10-13-6-5-9-19(11-13)12-14-16(21-3)15(20-2)7-8-18-14/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyRUOSMNJHALUAIT-UHFFFAOYSA-N
XLogP1.92
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine (CID 103173279) is N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2nccc(OC)c2OC)C1.
What is the InChIKey of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is RUOSMNJHALUAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-17-10-13-6-5-9-19(11-13)12-14-16(21-3)15(20-2)7-8-18-14/h7-8,13,17H,4-6,9-12H2,1-3H3.
What are the key properties of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 103173279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).