4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine

C13H24N4 — CID 138645648

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine
SMILESCC1C=C(N2CCC(N(C)C)CC2)C(N)=CN1
InChIInChI=1S/C13H24N4/c1-10-8-13(12(14)9-15-10)17-6-4-11(5-7-17)16(2)3/h8-11,15H,4-7,14H2,1-3H3
InChIKeyXPFIASBDVBWGCJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.69
Rot. Bonds2

About 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine

4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine (PubChem CID 138645648) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine
PubChem CID138645648
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine
SMILESCC1C=C(N2CCC(N(C)C)CC2)C(N)=CN1
InChIInChI=1S/C13H24N4/c1-10-8-13(12(14)9-15-10)17-6-4-11(5-7-17)16(2)3/h8-11,15H,4-7,14H2,1-3H3
InChIKeyXPFIASBDVBWGCJ-UHFFFAOYSA-N
XLogP0.69
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine (CID 138645648) is 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine is CC1C=C(N2CCC(N(C)C)CC2)C(N)=CN1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine?
The InChIKey is XPFIASBDVBWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-8-13(12(14)9-15-10)17-6-4-11(5-7-17)16(2)3/h8-11,15H,4-7,14H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine?
4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine has a molecular weight of 236.36 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 138645648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).