1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one

C17H25NO3 — CID 82015841

IUPAC1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C17H25NO3/c1-14-4-2-3-5-15(14)6-7-17(20)18-10-8-16(9-11-18)21-13-12-19/h2-5,16,19H,6-13H2,1H3
InChIKeyRRHNJNFQWRJEFN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.93
Rot. Bonds6

About 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one

1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 82015841) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
PubChem CID82015841
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C17H25NO3/c1-14-4-2-3-5-15(14)6-7-17(20)18-10-8-16(9-11-18)21-13-12-19/h2-5,16,19H,6-13H2,1H3
InChIKeyRRHNJNFQWRJEFN-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one
CID 82015246
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one;hydrochloride
CID 119520075
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
2-fluoro-2-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]acetic acid
CID 166317343
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]butan-1-one
CID 82693325
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114509852
2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
1-(4-chloro-3-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114683007
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-methylphenyl)propan-1-one
CID 72849763
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one (CID 82015841) is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)N1CCC(OCCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one?
The InChIKey is RRHNJNFQWRJEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14-4-2-3-5-15(14)6-7-17(20)18-10-8-16(9-11-18)21-13-12-19/h2-5,16,19H,6-13H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one?
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 82015841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).