4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine

C15H25N3 — CID 113367796

IUPAC4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cc(N2CCC(C)(C)CC2)ccn1
InChIInChI=1S/C15H25N3/c1-4-8-16-14-12-13(5-9-17-14)18-10-6-15(2,3)7-11-18/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,16,17)
InChIKeySRNQNFZDLINHAJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.53
Rot. Bonds4

About 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine

4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine (PubChem CID 113367796) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
PubChem CID113367796
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cc(N2CCC(C)(C)CC2)ccn1
InChIInChI=1S/C15H25N3/c1-4-8-16-14-12-13(5-9-17-14)18-10-6-15(2,3)7-11-18/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,16,17)
InChIKeySRNQNFZDLINHAJ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine (CID 113367796) is 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine is CCCNc1cc(N2CCC(C)(C)CC2)ccn1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine?
The InChIKey is SRNQNFZDLINHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-8-16-14-12-13(5-9-17-14)18-10-6-15(2,3)7-11-18/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,16,17).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine?
4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 113367796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).