methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate

C14H20N2O3 — CID 135277813

IUPACmethyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(c2cccc(CO)n2)CC1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)9-11-5-7-16(8-6-11)13-4-2-3-12(10-17)15-13/h2-4,11,17H,5-10H2,1H3
InChIKeyUABWYPLIQKJKKQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate

methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate (PubChem CID 135277813) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate
PubChem CID135277813
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(c2cccc(CO)n2)CC1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)9-11-5-7-16(8-6-11)13-4-2-3-12(10-17)15-13/h2-4,11,17H,5-10H2,1H3
InChIKeyUABWYPLIQKJKKQ-UHFFFAOYSA-N
XLogP1.35
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate (CID 135277813) is methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(c2cccc(CO)n2)CC1.
What is the InChIKey of methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate?
The InChIKey is UABWYPLIQKJKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-14(18)9-11-5-7-16(8-6-11)13-4-2-3-12(10-17)15-13/h2-4,11,17H,5-10H2,1H3.
What are the key properties of methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate?
methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate is sourced from PubChem (CID 135277813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).