1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine

C15H25N3 — CID 114055804

IUPAC1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
SMILESCCC1CCCCN1c1ncccc1C(C)NC
InChIInChI=1S/C15H25N3/c1-4-13-8-5-6-11-18(13)15-14(12(2)16-3)9-7-10-17-15/h7,9-10,12-13,16H,4-6,8,11H2,1-3H3
InChIKeyVPTAKGWHCKJBIL-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine

1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine (PubChem CID 114055804) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
PubChem CID114055804
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
SMILESCCC1CCCCN1c1ncccc1C(C)NC
InChIInChI=1S/C15H25N3/c1-4-13-8-5-6-11-18(13)15-14(12(2)16-3)9-7-10-17-15/h7,9-10,12-13,16H,4-6,8,11H2,1-3H3
InChIKeyVPTAKGWHCKJBIL-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine (CID 114055804) is 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine is CCC1CCCCN1c1ncccc1C(C)NC.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine?
The InChIKey is VPTAKGWHCKJBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-13-8-5-6-11-18(13)15-14(12(2)16-3)9-7-10-17-15/h7,9-10,12-13,16H,4-6,8,11H2,1-3H3.
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine?
1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 114055804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).