methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate

C18H27NO3 — CID 111974949

IUPACmethyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate
SMILESCOC(=O)CCC1CCN(CC(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H27NO3/c1-14-3-6-16(7-4-14)17(20)13-19-11-9-15(10-12-19)5-8-18(21)22-2/h3-4,6-7,15,17,20H,5,8-13H2,1-2H3
InChIKeyGMYVGWZKPBBEEW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.69
Rot. Bonds6

About methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate

methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate (PubChem CID 111974949) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate
PubChem CID111974949
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namemethyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate
SMILESCOC(=O)CCC1CCN(CC(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H27NO3/c1-14-3-6-16(7-4-14)17(20)13-19-11-9-15(10-12-19)5-8-18(21)22-2/h3-4,6-7,15,17,20H,5,8-13H2,1-2H3
InChIKeyGMYVGWZKPBBEEW-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate with MolForge

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Related Compounds

tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate
CID 111496308
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]acetamide
CID 129489844
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
tert-butyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 111487928
1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496583
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546
2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 174798401
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
CID 62199977

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate?
The IUPAC name of methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate (CID 111974949) is methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate is COC(=O)CCC1CCN(CC(O)c2ccc(C)cc2)CC1.
What is the InChIKey of methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate?
The InChIKey is GMYVGWZKPBBEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14-3-6-16(7-4-14)17(20)13-19-11-9-15(10-12-19)5-8-18(21)22-2/h3-4,6-7,15,17,20H,5,8-13H2,1-2H3.
What are the key properties of methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate?
methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate has a molecular weight of 305.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate is sourced from PubChem (CID 111974949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).