[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone

C20H31NO3 — CID 70705549

IUPAC[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C20H31NO3/c1-20(2,23)12-10-16-7-6-8-17(15-16)19(22)21-13-5-4-9-18(21)11-14-24-3/h6-8,15,18,23H,4-5,9-14H2,1-3H3
InChIKeySROINTOYLSVJNR-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.42
Rot. Bonds7

About [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone

[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 70705549) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID70705549
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C20H31NO3/c1-20(2,23)12-10-16-7-6-8-17(15-16)19(22)21-13-5-4-9-18(21)11-14-24-3/h6-8,15,18,23H,4-5,9-14H2,1-3H3
InChIKeySROINTOYLSVJNR-UHFFFAOYSA-N
XLogP3.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70738477
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025
[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95863375
(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide
CID 70788441
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]methanone
CID 95867172
[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 25303632
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280
[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70783319
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 70725176
[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95872305
[3-(3-hydroxy-3-methylbutyl)phenyl]-[(2R)-2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 95867561
2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
CID 136546901

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone (CID 70705549) is [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is SROINTOYLSVJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-20(2,23)12-10-16-7-6-8-17(15-16)19(22)21-13-5-4-9-18(21)11-14-24-3/h6-8,15,18,23H,4-5,9-14H2,1-3H3.
What are the key properties of [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 333.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70705549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).