2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine

C14H22N2 — CID 142956995

IUPAC2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine
SMILESCc1cccc(CC2CCN(C)C[C@H]2C)n1
InChIInChI=1S/C14H22N2/c1-11-10-16(3)8-7-13(11)9-14-6-4-5-12(2)15-14/h4-6,11,13H,7-10H2,1-3H3/t11-,13?/m1/s1
InChIKeyCOHOLROMCFUUPJ-JTDNENJMSA-N
MW218.34 g/mol
LogP2.52
Rot. Bonds2

About 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine

2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine (PubChem CID 142956995) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine
PubChem CID142956995
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine
SMILESCc1cccc(CC2CCN(C)C[C@H]2C)n1
InChIInChI=1S/C14H22N2/c1-11-10-16(3)8-7-13(11)9-14-6-4-5-12(2)15-14/h4-6,11,13H,7-10H2,1-3H3/t11-,13?/m1/s1
InChIKeyCOHOLROMCFUUPJ-JTDNENJMSA-N
XLogP2.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine?
The IUPAC name of 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine (CID 142956995) is 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine is Cc1cccc(CC2CCN(C)C[C@H]2C)n1.
What is the InChIKey of 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine?
The InChIKey is COHOLROMCFUUPJ-JTDNENJMSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-10-16(3)8-7-13(11)9-14-6-4-5-12(2)15-14/h4-6,11,13H,7-10H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine?
2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine has a molecular weight of 218.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1,3-dimethylpiperidin-4-yl]methyl]-6-methylpyridine is sourced from PubChem (CID 142956995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).