[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine

C15H25N3 — CID 63156183

IUPAC[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine
SMILESCCC1(CC)CCN(c2cc(CN)ccn2)CC1
InChIInChI=1S/C15H25N3/c1-3-15(4-2)6-9-18(10-7-15)14-11-13(12-16)5-8-17-14/h5,8,11H,3-4,6-7,9-10,12,16H2,1-2H3
InChIKeyLIWVZXSWZWOVKI-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.95
Rot. Bonds4

About [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine

[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine (PubChem CID 63156183) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine
PubChem CID63156183
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine
SMILESCCC1(CC)CCN(c2cc(CN)ccn2)CC1
InChIInChI=1S/C15H25N3/c1-3-15(4-2)6-9-18(10-7-15)14-11-13(12-16)5-8-17-14/h5,8,11H,3-4,6-7,9-10,12,16H2,1-2H3
InChIKeyLIWVZXSWZWOVKI-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine (CID 63156183) is [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine is CCC1(CC)CCN(c2cc(CN)ccn2)CC1.
What is the InChIKey of [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine?
The InChIKey is LIWVZXSWZWOVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-15(4-2)6-9-18(10-7-15)14-11-13(12-16)5-8-17-14/h5,8,11H,3-4,6-7,9-10,12,16H2,1-2H3.
What are the key properties of [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine?
[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 63156183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).