2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine

C13H21N3 — CID 79251522

IUPAC2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
SMILESCC1(C)CCN(Cc2cc(N)ccn2)CC1
InChIInChI=1S/C13H21N3/c1-13(2)4-7-16(8-5-13)10-12-9-11(14)3-6-15-12/h3,6,9H,4-5,7-8,10H2,1-2H3,(H2,14,15)
InChIKeyXLCAOCDJXRDQPW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.29
Rot. Bonds2

About 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine

2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine (PubChem CID 79251522) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
PubChem CID79251522
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
SMILESCC1(C)CCN(Cc2cc(N)ccn2)CC1
InChIInChI=1S/C13H21N3/c1-13(2)4-7-16(8-5-13)10-12-9-11(14)3-6-15-12/h3,6,9H,4-5,7-8,10H2,1-2H3,(H2,14,15)
InChIKeyXLCAOCDJXRDQPW-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine (CID 79251522) is 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine is CC1(C)CCN(Cc2cc(N)ccn2)CC1.
What is the InChIKey of 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine?
The InChIKey is XLCAOCDJXRDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2)4-7-16(8-5-13)10-12-9-11(14)3-6-15-12/h3,6,9H,4-5,7-8,10H2,1-2H3,(H2,14,15).
What are the key properties of 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine?
2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79251522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).