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

C16H23NO3 — CID 64564821

IUPACmethyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC(CO)C1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-16(19)15(14-7-3-2-4-8-14)11-17-9-5-6-13(10-17)12-18/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3
InChIKeyCKUGIMNSBMSBKJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.65
Rot. Bonds5

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

methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate (PubChem CID 64564821) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
PubChem CID64564821
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC(CO)C1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-16(19)15(14-7-3-2-4-8-14)11-17-9-5-6-13(10-17)12-18/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3
InChIKeyCKUGIMNSBMSBKJ-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-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
CID 115965519
methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216
methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
CID 64566277
3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
CID 124843943
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719
methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
CID 83235288

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate?
The IUPAC name of methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate (CID 64564821) is methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate is COC(=O)C(CN1CCCC(CO)C1)c1ccccc1.
What is the InChIKey of methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate?
The InChIKey is CKUGIMNSBMSBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-16(19)15(14-7-3-2-4-8-14)11-17-9-5-6-13(10-17)12-18/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3.
What are the key properties of methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate?
methyl 3-[3-(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-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate is sourced from PubChem (CID 64564821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).