2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine

C12H18N2O — CID 79261213

IUPAC2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
SMILESCc1cccc(CO[C@H]2CCCNC2)n1
InChIInChI=1S/C12H18N2O/c1-10-4-2-5-11(14-10)9-15-12-6-3-7-13-8-12/h2,4-5,12-13H,3,6-9H2,1H3/t12-/m0/s1
InChIKeyOERHVJNYUCRLLE-LBPRGKRZSA-N
MW206.29 g/mol
LogP1.66
Rot. Bonds3

About 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine

2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine (PubChem CID 79261213) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
PubChem CID79261213
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
SMILESCc1cccc(CO[C@H]2CCCNC2)n1
InChIInChI=1S/C12H18N2O/c1-10-4-2-5-11(14-10)9-15-12-6-3-7-13-8-12/h2,4-5,12-13H,3,6-9H2,1H3/t12-/m0/s1
InChIKeyOERHVJNYUCRLLE-LBPRGKRZSA-N
XLogP1.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine (CID 79261213) is 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine is Cc1cccc(CO[C@H]2CCCNC2)n1.
What is the InChIKey of 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is OERHVJNYUCRLLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-4-2-5-11(14-10)9-15-12-6-3-7-13-8-12/h2,4-5,12-13H,3,6-9H2,1H3/t12-/m0/s1.
What are the key properties of 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine?
2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 79261213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).