methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate

C16H23NO3 — CID 64567065

IUPACmethyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCC(CO)CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-16(19)15(14-5-3-2-4-6-14)11-17-9-7-13(12-18)8-10-17/h2-6,13,15,18H,7-12H2,1H3
InChIKeyLJERLUGUNKASEY-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.65
Rot. Bonds5

About methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate

methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate (PubChem CID 64567065) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
PubChem CID64567065
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCC(CO)CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-16(19)15(14-5-3-2-4-6-14)11-17-9-7-13(12-18)8-10-17/h2-6,13,15,18H,7-12H2,1H3
InChIKeyLJERLUGUNKASEY-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
CID 115965519
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
benzyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106484236
methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216
3-(4-methylpiperidin-1-yl)-2-phenylpropanehydrazide
CID 64566034
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol
CID 65016137
3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086
methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
CID 64566277

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate?
The IUPAC name of methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate (CID 64567065) is methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate is COC(=O)C(CN1CCC(CO)CC1)c1ccccc1.
What is the InChIKey of methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate?
The InChIKey is LJERLUGUNKASEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-16(19)15(14-5-3-2-4-6-14)11-17-9-7-13(12-18)8-10-17/h2-6,13,15,18H,7-12H2,1H3.
What are the key properties of methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate?
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate has a molecular weight of 277.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate is sourced from PubChem (CID 64567065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).