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

C16H21NO3 — CID 649029

IUPACcyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2(O)CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H21NO3/c1-20-14-4-2-3-13(11-14)16(19)7-9-17(10-8-16)15(18)12-5-6-12/h2-4,11-12,19H,5-10H2,1H3
InChIKeyGVXOBZJJMFNCTK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.92
Rot. Bonds3

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

cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 649029) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID649029
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namecyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2(O)CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H21NO3/c1-20-14-4-2-3-13(11-14)16(19)7-9-17(10-8-16)15(18)12-5-6-12/h2-4,11-12,19H,5-10H2,1H3
InChIKeyGVXOBZJJMFNCTK-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.92
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
Tramadol N-Oxide
CID 9861699
Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride (1:1)
CID 9971980
1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
CID 22016064
(-)-(S,S)-trans-Tramadol
CID 667511
N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
CID 1446520
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

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone (CID 649029) is cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc(C2(O)CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is GVXOBZJJMFNCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-14-4-2-3-13(11-14)16(19)7-9-17(10-8-16)15(18)12-5-6-12/h2-4,11-12,19H,5-10H2,1H3.
What are the key properties of cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone?
cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 649029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).