1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine

C15H25N3 — CID 62935813

IUPAC1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(c1ccncc1)N1CCC(C)(C)CC1
InChIInChI=1S/C15H25N3/c1-12(16)14(13-4-8-17-9-5-13)18-10-6-15(2,3)7-11-18/h4-5,8-9,12,14H,6-7,10-11,16H2,1-3H3
InChIKeyAJOYTRUJKIKEGL-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.59
Rot. Bonds3

About 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine

1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine (PubChem CID 62935813) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine
PubChem CID62935813
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(c1ccncc1)N1CCC(C)(C)CC1
InChIInChI=1S/C15H25N3/c1-12(16)14(13-4-8-17-9-5-13)18-10-6-15(2,3)7-11-18/h4-5,8-9,12,14H,6-7,10-11,16H2,1-3H3
InChIKeyAJOYTRUJKIKEGL-UHFFFAOYSA-N
XLogP2.59
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine (CID 62935813) is 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine is CC(N)C(c1ccncc1)N1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine?
The InChIKey is AJOYTRUJKIKEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(16)14(13-4-8-17-9-5-13)18-10-6-15(2,3)7-11-18/h4-5,8-9,12,14H,6-7,10-11,16H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine?
1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 62935813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).