[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone

C17H25NO3 — CID 97142502

IUPAC[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
SMILESCC[C@@]1(CO)CCCN(C(=O)c2ccc(C)cc2OC)C1
InChIInChI=1S/C17H25NO3/c1-4-17(12-19)8-5-9-18(11-17)16(20)14-7-6-13(2)10-15(14)21-3/h6-7,10,19H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1
InChIKeyONNMAQFXPREAAN-QGZVFWFLSA-N
MW291.39 g/mol
LogP2.63
Rot. Bonds4

About [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone

[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone (PubChem CID 97142502) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
PubChem CID97142502
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
SMILESCC[C@@]1(CO)CCCN(C(=O)c2ccc(C)cc2OC)C1
InChIInChI=1S/C17H25NO3/c1-4-17(12-19)8-5-9-18(11-17)16(20)14-7-6-13(2)10-15(14)21-3/h6-7,10,19H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1
InChIKeyONNMAQFXPREAAN-QGZVFWFLSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 70742601
(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97142593
2-(2,4-dimethoxyphenyl)-1-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 97149432
1-[(3S)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 99787961
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
1-(4-chloro-2-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144862
(2-bromo-5-methylphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81110144
2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124960724
3-ethyl-1-(2-methoxy-5-sulfamoylbenzoyl)piperidine-3-carboxylic acid
CID 70715759
[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-6-methylphenyl)methanone
CID 97142480
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone?
The IUPAC name of [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone (CID 97142502) is [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone is CC[C@@]1(CO)CCCN(C(=O)c2ccc(C)cc2OC)C1.
What is the InChIKey of [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone?
The InChIKey is ONNMAQFXPREAAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-17(12-19)8-5-9-18(11-17)16(20)14-7-6-13(2)10-15(14)21-3/h6-7,10,19H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1.
What are the key properties of [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone?
[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone has a molecular weight of 291.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 97142502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).