methyl 3-(3-piperidin-4-ylphenyl)propanoate

C15H21NO2 — CID 116988945

IUPACmethyl 3-(3-piperidin-4-ylphenyl)propanoate
SMILESCOC(=O)CCc1cccc(C2CCNCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-15(17)6-5-12-3-2-4-14(11-12)13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3
InChIKeyRRECTABXECGYFB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds4

About methyl 3-(3-piperidin-4-ylphenyl)propanoate

methyl 3-(3-piperidin-4-ylphenyl)propanoate (PubChem CID 116988945) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 3-(3-piperidin-4-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-piperidin-4-ylphenyl)propanoate
PubChem CID116988945
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 3-(3-piperidin-4-ylphenyl)propanoate
SMILESCOC(=O)CCc1cccc(C2CCNCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-15(17)6-5-12-3-2-4-14(11-12)13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3
InChIKeyRRECTABXECGYFB-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-piperidin-4-yloxyphenyl)propanoate
CID 144899460
methyl 3-[4-(N-methyl-4-piperidin-4-ylanilino)phenyl]propanoate
CID 67844835
methyl 3-[4-[(4-piperidin-4-ylphenyl)methylamino]phenyl]propanoate
CID 67844812
methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
CID 144899288
methyl 3-[3-methoxy-4-[(4-piperidin-4-ylbenzoyl)amino]phenyl]propanoate;hydrochloride
CID 67844603
methyl 3-[3-bromo-4-[(4-piperidin-4-ylbenzoyl)amino]phenyl]propanoate;hydrochloride
CID 67844601
methyl 2-(3-cyclohexylphenyl)acetate
CID 54492960
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-(3-cyclopentylphenyl)propanoic acid
CID 83836630
(2S)-2-amino-3-(3-piperidin-4-ylphenyl)propanoic acid
CID 177277385
3-[3-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117405463
4-[3-[(2-methoxyphenoxy)methyl]phenyl]piperidine
CID 91230339

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-piperidin-4-ylphenyl)propanoate?
The IUPAC name of methyl 3-(3-piperidin-4-ylphenyl)propanoate (CID 116988945) is methyl 3-(3-piperidin-4-ylphenyl)propanoate.
What is the SMILES notation for methyl 3-(3-piperidin-4-ylphenyl)propanoate?
The canonical SMILES for methyl 3-(3-piperidin-4-ylphenyl)propanoate is COC(=O)CCc1cccc(C2CCNCC2)c1.
What is the InChIKey of methyl 3-(3-piperidin-4-ylphenyl)propanoate?
The InChIKey is RRECTABXECGYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)6-5-12-3-2-4-14(11-12)13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3.
What are the key properties of methyl 3-(3-piperidin-4-ylphenyl)propanoate?
methyl 3-(3-piperidin-4-ylphenyl)propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-piperidin-4-ylphenyl)propanoate is sourced from PubChem (CID 116988945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).