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

C16H27N3 — CID 104968857

IUPAC6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN2[C@H](C)CCC[C@@H]2C)n1
InChIInChI=1S/C16H27N3/c1-4-11-17-16-10-6-9-15(18-16)12-19-13(2)7-5-8-14(19)3/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3,(H,17,18)/t13-,14+
InChIKeyVKMQKMCHKDKGIR-OKILXGFUSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds5

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

6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine (PubChem CID 104968857) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine
PubChem CID104968857
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN2[C@H](C)CCC[C@@H]2C)n1
InChIInChI=1S/C16H27N3/c1-4-11-17-16-10-6-9-15(18-16)12-19-13(2)7-5-8-14(19)3/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3,(H,17,18)/t13-,14+
InChIKeyVKMQKMCHKDKGIR-OKILXGFUSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine (CID 104968857) is 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine is CCCNc1cccc(CN2[C@H](C)CCC[C@@H]2C)n1.
What is the InChIKey of 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine?
The InChIKey is VKMQKMCHKDKGIR-OKILXGFUSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-11-17-16-10-6-9-15(18-16)12-19-13(2)7-5-8-14(19)3/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3,(H,17,18)/t13-,14+.
What are the key properties of 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine?
6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 104968857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).