ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate

C17H24ClNO2 — CID 64540117

IUPACethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
SMILESCCOC(=O)CC(C)(c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C17H24ClNO2/c1-3-21-16(20)13-17(2,19-10-5-4-6-11-19)14-8-7-9-15(18)12-14/h7-9,12H,3-6,10-11,13H2,1-2H3
InChIKeyQFHNQKYPTASMCJ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.99
Rot. Bonds5

About ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate

ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate (PubChem CID 64540117) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
PubChem CID64540117
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Nameethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
SMILESCCOC(=O)CC(C)(c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C17H24ClNO2/c1-3-21-16(20)13-17(2,19-10-5-4-6-11-19)14-8-7-9-15(18)12-14/h7-9,12H,3-6,10-11,13H2,1-2H3
InChIKeyQFHNQKYPTASMCJ-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64527625
ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
CID 10172125
ethyl 3-(2,5-dichlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64540295
ethyl 3-(4-methylpiperazin-1-yl)-3-phenylbutanoate
CID 65422298
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate
CID 64526458
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid
CID 64527215
3-(azepan-1-yl)-3-(3-bromophenyl)butanoic acid
CID 64527330
ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate
CID 103466113
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate?
The IUPAC name of ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate (CID 64540117) is ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate.
What is the SMILES notation for ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate?
The canonical SMILES for ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate is CCOC(=O)CC(C)(c1cccc(Cl)c1)N1CCCCC1.
What is the InChIKey of ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate?
The InChIKey is QFHNQKYPTASMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-21-16(20)13-17(2,19-10-5-4-6-11-19)14-8-7-9-15(18)12-14/h7-9,12H,3-6,10-11,13H2,1-2H3.
What are the key properties of ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate?
ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate has a molecular weight of 309.84 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate is sourced from PubChem (CID 64540117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).