4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine

C13H22N4 — CID 54985825

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
SMILESCN(C)CC1CCN(c2ccncc2N)CC1
InChIInChI=1S/C13H22N4/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14/h3,6,9,11H,4-5,7-8,10,14H2,1-2H3
InChIKeyLWDYJJAWFVKZCJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.44
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine

4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine (PubChem CID 54985825) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
PubChem CID54985825
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
SMILESCN(C)CC1CCN(c2ccncc2N)CC1
InChIInChI=1S/C13H22N4/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14/h3,6,9,11H,4-5,7-8,10,14H2,1-2H3
InChIKeyLWDYJJAWFVKZCJ-UHFFFAOYSA-N
XLogP1.44
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine (CID 54985825) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine is CN(C)CC1CCN(c2ccncc2N)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine?
The InChIKey is LWDYJJAWFVKZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14/h3,6,9,11H,4-5,7-8,10,14H2,1-2H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 54985825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).