[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine

C15H25N3 — CID 62298748

IUPAC[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
SMILESCC(C)(C)C1CCN(c2ccnc(CN)c2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)12-5-8-18(9-6-12)14-4-7-17-13(10-14)11-16/h4,7,10,12H,5-6,8-9,11,16H2,1-3H3
InChIKeyHWUAJAUFBQJGMJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.80
Rot. Bonds2

About [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine

[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine (PubChem CID 62298748) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
PubChem CID62298748
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
SMILESCC(C)(C)C1CCN(c2ccnc(CN)c2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)12-5-8-18(9-6-12)14-4-7-17-13(10-14)11-16/h4,7,10,12H,5-6,8-9,11,16H2,1-3H3
InChIKeyHWUAJAUFBQJGMJ-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine (CID 62298748) is [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine is CC(C)(C)C1CCN(c2ccnc(CN)c2)CC1.
What is the InChIKey of [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is HWUAJAUFBQJGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)12-5-8-18(9-6-12)14-4-7-17-13(10-14)11-16/h4,7,10,12H,5-6,8-9,11,16H2,1-3H3.
What are the key properties of [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine?
[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62298748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).