methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate

C20H24N2O3 — CID 56743096

IUPACmethyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C20H24N2O3/c1-15-8-9-17(21-14-15)20(24)10-12-22(13-11-20)18(19(23)25-2)16-6-4-3-5-7-16/h3-9,14,18,24H,10-13H2,1-2H3
InChIKeyTWDMWXQRZXXBJU-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.59
Rot. Bonds4

About methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate

methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate (PubChem CID 56743096) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate
PubChem CID56743096
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C20H24N2O3/c1-15-8-9-17(21-14-15)20(24)10-12-22(13-11-20)18(19(23)25-2)16-6-4-3-5-7-16/h3-9,14,18,24H,10-13H2,1-2H3
InChIKeyTWDMWXQRZXXBJU-UHFFFAOYSA-N
XLogP2.59
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Pirmenol Hydrochloride
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(+/-)-threo-N-(4-Methylpyridine)methylphenidate
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5-Cyclohexylpicolinic acid
CID 658651
4-(5-Pentylpyridin-2-yl)benzoic acid
CID 2053671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate?
The IUPAC name of methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate (CID 56743096) is methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate.
What is the SMILES notation for methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate?
The canonical SMILES for methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate is COC(=O)C(c1ccccc1)N1CCC(O)(c2ccc(C)cn2)CC1.
What is the InChIKey of methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate?
The InChIKey is TWDMWXQRZXXBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-8-9-17(21-14-15)20(24)10-12-22(13-11-20)18(19(23)25-2)16-6-4-3-5-7-16/h3-9,14,18,24H,10-13H2,1-2H3.
What are the key properties of methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate?
methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate has a molecular weight of 340.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-phenylacetate is sourced from PubChem (CID 56743096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).