(3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone

C20H23NO3 — CID 110883794

IUPAC(3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone
SMILESCc1ccccc1COc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C20H23NO3/c1-15-7-2-3-8-16(15)14-24-19-11-5-4-10-18(19)20(23)21-12-6-9-17(22)13-21/h2-5,7-8,10-11,17,22H,6,9,12-14H2,1H3
InChIKeyFWWVBWIZNJXCJC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.17
Rot. Bonds4

About (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone

(3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone (PubChem CID 110883794) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone
PubChem CID110883794
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone
SMILESCc1ccccc1COc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C20H23NO3/c1-15-7-2-3-8-16(15)14-24-19-11-5-4-10-18(19)20(23)21-12-6-9-17(22)13-21/h2-5,7-8,10-11,17,22H,6,9,12-14H2,1H3
InChIKeyFWWVBWIZNJXCJC-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110886796
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 119595906
[2-[(2-chlorophenyl)methoxy]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 60525709
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 111561150
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591
1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one
CID 115277015
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone (CID 110883794) is (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone is Cc1ccccc1COc1ccccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone?
The InChIKey is FWWVBWIZNJXCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-7-2-3-8-16(15)14-24-19-11-5-4-10-18(19)20(23)21-12-6-9-17(22)13-21/h2-5,7-8,10-11,17,22H,6,9,12-14H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[2-[(2-methylphenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 110883794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).