1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one

C16H22ClNO — CID 61421542

IUPAC1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(C)C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO/c1-3-13-8-10-18(11-9-13)12(2)16(19)14-4-6-15(17)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyBSRYFDJVOHKCFJ-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one

1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one (PubChem CID 61421542) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
PubChem CID61421542
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(C)C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO/c1-3-13-8-10-18(11-9-13)12(2)16(19)14-4-6-15(17)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyBSRYFDJVOHKCFJ-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 62037525
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
1-[1-oxo-1-(4-propan-2-ylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 82026436

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one (CID 61421542) is 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one is CCC1CCN(C(C)C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is BSRYFDJVOHKCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-13-8-10-18(11-9-13)12(2)16(19)14-4-6-15(17)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one?
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 279.81 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 61421542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).