2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol

C15H24N2O — CID 79045471

IUPAC2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
SMILESCc1ccncc1C(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H24N2O/c1-12-7-8-16-11-13(12)14(18)15(2,3)17-9-5-4-6-10-17/h7-8,11,14,18H,4-6,9-10H2,1-3H3
InChIKeyYRWSUNHKSSHCAR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol

2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol (PubChem CID 79045471) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
PubChem CID79045471
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
SMILESCc1ccncc1C(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H24N2O/c1-12-7-8-16-11-13(12)14(18)15(2,3)17-9-5-4-6-10-17/h7-8,11,14,18H,4-6,9-10H2,1-3H3
InChIKeyYRWSUNHKSSHCAR-UHFFFAOYSA-N
XLogP2.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol (CID 79045471) is 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol is Cc1ccncc1C(O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol?
The InChIKey is YRWSUNHKSSHCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-8-16-11-13(12)14(18)15(2,3)17-9-5-4-6-10-17/h7-8,11,14,18H,4-6,9-10H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol?
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 79045471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).