(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C15H21NO4 — CID 43422311

IUPAC(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C15H21NO4/c1-19-12-5-6-14(20-2)13(8-12)15(18)16-7-3-4-11(9-16)10-17/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeySCJAUBNTUIMJIC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.55
Rot. Bonds4

About (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43422311) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43422311
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C15H21NO4/c1-19-12-5-6-14(20-2)13(8-12)15(18)16-7-3-4-11(9-16)10-17/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeySCJAUBNTUIMJIC-UHFFFAOYSA-N
XLogP1.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62355921
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
[3-(chloromethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63392981
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 119464934
[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 120727504
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
3-[(3S)-1-(2,5-dimethoxybenzoyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 25453434
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone
CID 126434367

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43422311) is (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is COc1ccc(OC)c(C(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SCJAUBNTUIMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-12-5-6-14(20-2)13(8-12)15(18)16-7-3-4-11(9-16)10-17/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43422311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).