methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate

C17H25NO3 — CID 58280187

IUPACmethyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCC[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-20-17(19)10-6-12-18-11-5-9-16(13-18)21-14-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m1/s1
InChIKeyOESNDCWFYAJEOS-MRXNPFEDSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds7

About methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate

methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate (PubChem CID 58280187) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate
PubChem CID58280187
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCC[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-20-17(19)10-6-12-18-11-5-9-16(13-18)21-14-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m1/s1
InChIKeyOESNDCWFYAJEOS-MRXNPFEDSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755346
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
CID 86744370
3-[3-[(3-cyanophenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755389
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
methyl 4-[(3R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]butanoate
CID 58280061
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
methyl 8-phenylmethoxyoctanoate
CID 562206
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
[(3S)-1-benzylpiperidin-3-yl] butanoate
CID 132566601

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate?
The IUPAC name of methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate (CID 58280187) is methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate?
The canonical SMILES for methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate is COC(=O)CCCN1CCC[C@@H](OCc2ccccc2)C1.
What is the InChIKey of methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate?
The InChIKey is OESNDCWFYAJEOS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-17(19)10-6-12-18-11-5-9-16(13-18)21-14-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3/t16-/m1/s1.
What are the key properties of methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate?
methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate has a molecular weight of 291.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate is sourced from PubChem (CID 58280187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).