ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate

C16H22ClNO2 — CID 135012997

IUPACethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-2-20-16(19)15(18-10-6-3-7-11-18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3
InChIKeyKRFCOTIHMHMVPX-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.30
Rot. Bonds5

About ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate

ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate (PubChem CID 135012997) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate
PubChem CID135012997
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Nameethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-2-20-16(19)15(18-10-6-3-7-11-18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3
InChIKeyKRFCOTIHMHMVPX-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate (CID 135012997) is ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate is CCOC(=O)C(Cc1ccccc1Cl)N1CCCCC1.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate?
The InChIKey is KRFCOTIHMHMVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-20-16(19)15(18-10-6-3-7-11-18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3.
What are the key properties of ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate?
ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate has a molecular weight of 295.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate is sourced from PubChem (CID 135012997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).