cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone

C17H23NO3 — CID 653764

IUPACcyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2(O)CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H23NO3/c1-21-15-7-3-6-14(12-15)17(20)8-10-18(11-9-17)16(19)13-4-2-5-13/h3,6-7,12-13,20H,2,4-5,8-11H2,1H3
InChIKeyKCXNIJXRPRKOPQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.31
Rot. Bonds3

About cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone

cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 653764) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID653764
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namecyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2(O)CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H23NO3/c1-21-15-7-3-6-14(12-15)17(20)8-10-18(11-9-17)16(19)13-4-2-5-13/h3,6-7,12-13,20H,2,4-5,8-11H2,1H3
InChIKeyKCXNIJXRPRKOPQ-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tramadol
CID 33741
Tramadol Hydrochloride
CID 63013
2-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol
CID 5523
Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride (1:1)
CID 9971980
N-[(E)-3-(3-methoxyphenyl)-3-phenylprop-2-enyl]cyclobutanecarboxamide
CID 16094585
N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
CID 1446520
Cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2802380
3-(4-Methoxyphenyl)-4-methyl-1-(piperidin-1-yl)pentan-1-one
CID 3751885
1-[4-(4-Methoxyphenyl)piperidin-1-YL]ethan-1-one
CID 53016296
1-[4-(3-Methoxyphenyl)piperidin-1-yl]propan-1-one
CID 53320281
trans-Tramadol hydrochloride
CID 63014
(-)-(S,S)-trans-Tramadol
CID 667511

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone (CID 653764) is cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc(C2(O)CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is KCXNIJXRPRKOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-15-7-3-6-14(12-15)17(20)8-10-18(11-9-17)16(19)13-4-2-5-13/h3,6-7,12-13,20H,2,4-5,8-11H2,1H3.
What are the key properties of cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone?
cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 289.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 653764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).