methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate

C15H20ClNO3 — CID 117239760

IUPACmethyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate
SMILESCOC(=O)C(COc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H20ClNO3/c1-19-15(18)14(11-5-7-17-8-6-11)10-20-13-4-2-3-12(16)9-13/h2-4,9,11,14,17H,5-8,10H2,1H3
InChIKeyMEUHMCLQACRYNI-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.51
Rot. Bonds5

About methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate

methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate (PubChem CID 117239760) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate
PubChem CID117239760
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Namemethyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate
SMILESCOC(=O)C(COc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H20ClNO3/c1-19-15(18)14(11-5-7-17-8-6-11)10-20-13-4-2-3-12(16)9-13/h2-4,9,11,14,17H,5-8,10H2,1H3
InChIKeyMEUHMCLQACRYNI-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
CID 117245908
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate?
The IUPAC name of methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate (CID 117239760) is methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate.
What is the SMILES notation for methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate?
The canonical SMILES for methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate is COC(=O)C(COc1cccc(Cl)c1)C1CCNCC1.
What is the InChIKey of methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate?
The InChIKey is MEUHMCLQACRYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-19-15(18)14(11-5-7-17-8-6-11)10-20-13-4-2-3-12(16)9-13/h2-4,9,11,14,17H,5-8,10H2,1H3.
What are the key properties of methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate?
methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate has a molecular weight of 297.78 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenoxy)-2-piperidin-4-ylpropanoate is sourced from PubChem (CID 117239760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).