1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one

C17H24ClNO2 — CID 91784300

IUPAC1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)N1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClNO2/c1-4-21-17(2,3)16(20)19-11-5-6-14(12-19)13-7-9-15(18)10-8-13/h7-10,14H,4-6,11-12H2,1-3H3
InChIKeyWNRJPYRMGIHIBI-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.86
Rot. Bonds4

About 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one

1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one (PubChem CID 91784300) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one
PubChem CID91784300
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)N1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClNO2/c1-4-21-17(2,3)16(20)19-11-5-6-14(12-19)13-7-9-15(18)10-8-13/h7-10,14H,4-6,11-12H2,1-3H3
InChIKeyWNRJPYRMGIHIBI-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one?
The IUPAC name of 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one (CID 91784300) is 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one is CCOC(C)(C)C(=O)N1CCCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one?
The InChIKey is WNRJPYRMGIHIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-4-21-17(2,3)16(20)19-11-5-6-14(12-19)13-7-9-15(18)10-8-13/h7-10,14H,4-6,11-12H2,1-3H3.
What are the key properties of 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one?
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one has a molecular weight of 309.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)piperidin-1-yl]-2-ethoxy-2-methylpropan-1-one is sourced from PubChem (CID 91784300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).