[(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone

C17H23NO3 — CID 124858444

IUPAC[(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(O)c2)C1
InChIInChI=1S/C17H23NO3/c1-21-11-12-4-3-7-18(10-12)17(20)16-9-15(16)13-5-2-6-14(19)8-13/h2,5-6,8,12,15-16,19H,3-4,7,9-11H2,1H3/t12-,15+,16+/m1/s1
InChIKeyOMKMCJJJTCEKPK-KCXAZCMYSA-N
MW289.37 g/mol
LogP2.38
Rot. Bonds4

About [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone

[(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 124858444) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID124858444
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(O)c2)C1
InChIInChI=1S/C17H23NO3/c1-21-11-12-4-3-7-18(10-12)17(20)16-9-15(16)13-5-2-6-14(19)8-13/h2,5-6,8,12,15-16,19H,3-4,7,9-11H2,1H3/t12-,15+,16+/m1/s1
InChIKeyOMKMCJJJTCEKPK-KCXAZCMYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[3-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119397312
[(3R)-3-methoxypiperidin-1-yl]-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97212252
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone
CID 124778448
(3R)-1-[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125148642
[(1R,2R)-2-(3-bromophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124779684
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412312
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002
[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 124858444) is [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone is COC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(O)c2)C1.
What is the InChIKey of [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is OMKMCJJJTCEKPK-KCXAZCMYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-11-12-4-3-7-18(10-12)17(20)16-9-15(16)13-5-2-6-14(19)8-13/h2,5-6,8,12,15-16,19H,3-4,7,9-11H2,1H3/t12-,15+,16+/m1/s1.
What are the key properties of [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone?
[(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 289.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(3-hydroxyphenyl)cyclopropyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124858444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).