methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate

C16H23NO3 — CID 122138914

IUPACmethyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-20-15(18)8-5-11-17-12-9-16(19,10-13-17)14-6-3-2-4-7-14/h2-4,6-7,19H,5,8-13H2,1H3
InChIKeyGPKQRMORYAQAOV-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.92
Rot. Bonds5

About methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate

methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate (PubChem CID 122138914) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
PubChem CID122138914
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-20-15(18)8-5-11-17-12-9-16(19,10-13-17)14-6-3-2-4-7-14/h2-4,6-7,19H,5,8-13H2,1H3
InChIKeyGPKQRMORYAQAOV-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
CID 134069306
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503
methyl 4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]butanoate;hydrochloride
CID 19960232
[3-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butoxy]-4,5-dimethyl-1H-pyrrol-2-yl] methyl carbonate
CID 70531580
N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
CID 50980551
4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione
CID 19813058
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
methyl 4-(azocan-1-yl)butanoate
CID 43377737
methyl 6-oxo-6-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]hexanoate
CID 3722831
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 67760392

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate?
The IUPAC name of methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate (CID 122138914) is methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate is COC(=O)CCCN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate?
The InChIKey is GPKQRMORYAQAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-15(18)8-5-11-17-12-9-16(19,10-13-17)14-6-3-2-4-7-14/h2-4,6-7,19H,5,8-13H2,1H3.
What are the key properties of methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate?
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate has a molecular weight of 277.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate is sourced from PubChem (CID 122138914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).