5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine

C14H23N3 — CID 104968869

IUPAC5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CN2[C@H](C)CCC[C@@H]2C)cn1
InChIInChI=1S/C14H23N3/c1-11-5-4-6-12(2)17(11)10-13-7-8-14(15-3)16-9-13/h7-9,11-12H,4-6,10H2,1-3H3,(H,15,16)/t11-,12+
InChIKeyUACGLLQAFSCWRS-TXEJJXNPSA-N
MW233.36 g/mol
LogP2.89
Rot. Bonds3

About 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine

5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 104968869) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine
PubChem CID104968869
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CN2[C@H](C)CCC[C@@H]2C)cn1
InChIInChI=1S/C14H23N3/c1-11-5-4-6-12(2)17(11)10-13-7-8-14(15-3)16-9-13/h7-9,11-12H,4-6,10H2,1-3H3,(H,15,16)/t11-,12+
InChIKeyUACGLLQAFSCWRS-TXEJJXNPSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine (CID 104968869) is 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine is CNc1ccc(CN2[C@H](C)CCC[C@@H]2C)cn1.
What is the InChIKey of 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The InChIKey is UACGLLQAFSCWRS-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-5-4-6-12(2)17(11)10-13-7-8-14(15-3)16-9-13/h7-9,11-12H,4-6,10H2,1-3H3,(H,15,16)/t11-,12+.
What are the key properties of 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine?
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 104968869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).