[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone

C18H22N2O3 — CID 138026772

IUPAC[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone
SMILESCOCC1(O)CCN(C(=O)c2ccccc2-n2cccc2)CC1
InChIInChI=1S/C18H22N2O3/c1-23-14-18(22)8-12-20(13-9-18)17(21)15-6-2-3-7-16(15)19-10-4-5-11-19/h2-7,10-11,22H,8-9,12-14H2,1H3
InChIKeyWFHQOPPFIGAZSO-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.09
Rot. Bonds4

About [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone

[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone (PubChem CID 138026772) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone
PubChem CID138026772
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone
SMILESCOCC1(O)CCN(C(=O)c2ccccc2-n2cccc2)CC1
InChIInChI=1S/C18H22N2O3/c1-23-14-18(22)8-12-20(13-9-18)17(21)15-6-2-3-7-16(15)19-10-4-5-11-19/h2-7,10-11,22H,8-9,12-14H2,1H3
InChIKeyWFHQOPPFIGAZSO-UHFFFAOYSA-N
XLogP2.09
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone (CID 138026772) is [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone is COCC1(O)CCN(C(=O)c2ccccc2-n2cccc2)CC1.
What is the InChIKey of [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone?
The InChIKey is WFHQOPPFIGAZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-14-18(22)8-12-20(13-9-18)17(21)15-6-2-3-7-16(15)19-10-4-5-11-19/h2-7,10-11,22H,8-9,12-14H2,1H3.
What are the key properties of [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone?
[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone has a molecular weight of 314.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 138026772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).