(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol

C15H24N2O2 — CID 103938475

IUPAC(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(C)CC2CCCCO2)cn1
InChIInChI=1S/C15H24N2O2/c1-3-15(18)14-8-7-12(10-16-14)17(2)11-13-6-4-5-9-19-13/h7-8,10,13,15,18H,3-6,9,11H2,1-2H3/t13?,15-/m1/s1
InChIKeyVKDVWBWZTDSDGY-AWKYBWMHSA-N
MW264.37 g/mol
LogP2.53
Rot. Bonds5

About (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol

(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938475) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938475
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(C)CC2CCCCO2)cn1
InChIInChI=1S/C15H24N2O2/c1-3-15(18)14-8-7-12(10-16-14)17(2)11-13-6-4-5-9-19-13/h7-8,10,13,15,18H,3-6,9,11H2,1-2H3/t13?,15-/m1/s1
InChIKeyVKDVWBWZTDSDGY-AWKYBWMHSA-N
XLogP2.53
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol (CID 103938475) is (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(N(C)CC2CCCCO2)cn1.
What is the InChIKey of (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is VKDVWBWZTDSDGY-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-15(18)14-8-7-12(10-16-14)17(2)11-13-6-4-5-9-19-13/h7-8,10,13,15,18H,3-6,9,11H2,1-2H3/t13?,15-/m1/s1.
What are the key properties of (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol?
(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).