6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine

C12H22N4 — CID 142025461

IUPAC6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine
SMILESCN1C(CN2CCC(N)CC2)=CC=CC1N
InChIInChI=1S/C12H22N4/c1-15-11(3-2-4-12(15)14)9-16-7-5-10(13)6-8-16/h2-4,10,12H,5-9,13-14H2,1H3
InChIKeyCXRWUSCFBJQJNT-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.08
Rot. Bonds2

About 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine

6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine (PubChem CID 142025461) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine
PubChem CID142025461
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine
SMILESCN1C(CN2CCC(N)CC2)=CC=CC1N
InChIInChI=1S/C12H22N4/c1-15-11(3-2-4-12(15)14)9-16-7-5-10(13)6-8-16/h2-4,10,12H,5-9,13-14H2,1H3
InChIKeyCXRWUSCFBJQJNT-UHFFFAOYSA-N
XLogP0.08
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine?
The IUPAC name of 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine (CID 142025461) is 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine.
What is the SMILES notation for 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine?
The canonical SMILES for 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine is CN1C(CN2CCC(N)CC2)=CC=CC1N.
What is the InChIKey of 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine?
The InChIKey is CXRWUSCFBJQJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15-11(3-2-4-12(15)14)9-16-7-5-10(13)6-8-16/h2-4,10,12H,5-9,13-14H2,1H3.
What are the key properties of 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine?
6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine has a molecular weight of 222.34 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminopiperidin-1-yl)methyl]-1-methyl-2H-pyridin-2-amine is sourced from PubChem (CID 142025461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).