1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

C15H25N3 — CID 62323527

IUPAC1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)C2CCCN(C)C2)n1
InChIInChI=1S/C15H25N3/c1-12-6-4-8-15(17-12)10-16-13(2)14-7-5-9-18(3)11-14/h4,6,8,13-14,16H,5,7,9-11H2,1-3H3
InChIKeyNIYNSSXXVDNUCY-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.21
Rot. Bonds4

About 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 62323527) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID62323527
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)C2CCCN(C)C2)n1
InChIInChI=1S/C15H25N3/c1-12-6-4-8-15(17-12)10-16-13(2)14-7-5-9-18(3)11-14/h4,6,8,13-14,16H,5,7,9-11H2,1-3H3
InChIKeyNIYNSSXXVDNUCY-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (CID 62323527) is 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is Cc1cccc(CNC(C)C2CCCN(C)C2)n1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is NIYNSSXXVDNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-6-4-8-15(17-12)10-16-13(2)14-7-5-9-18(3)11-14/h4,6,8,13-14,16H,5,7,9-11H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62323527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).