2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one

C17H24ClNO3 — CID 53150815

IUPAC2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
SMILESCOCCC1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClNO3/c1-13(22-16-5-3-4-15(18)12-16)17(20)19-9-6-14(7-10-19)8-11-21-2/h3-5,12-14H,6-11H2,1-2H3
InChIKeyVYRPNCNRIBKJQV-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.38
Rot. Bonds6

About 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one

2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 53150815) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
PubChem CID53150815
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
SMILESCOCCC1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClNO3/c1-13(22-16-5-3-4-15(18)12-16)17(20)19-9-6-14(7-10-19)8-11-21-2/h3-5,12-14H,6-11H2,1-2H3
InChIKeyVYRPNCNRIBKJQV-UHFFFAOYSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
1-[(4-Chloro-2-methylphenoxy)acetyl]-3,5-dimethylpiperidine
CID 2931607
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
Methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-4-carboxylate
CID 2940357
1-[2-(4-Chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-(4-Chloro-2-methylphenoxy)-1-(piperidin-1-yl)ethanone
CID 774159
Methyl 1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxylate
CID 798758
1-[(2-Fluorophenoxy)acetyl]-4-methylpiperidine
CID 806175
Ethyl 4-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperazine-1-carboxylate
CID 1084014
4-(4-Chlorophenoxy)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 1565337
2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide
CID 2933095

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one (CID 53150815) is 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one is COCCC1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is VYRPNCNRIBKJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-13(22-16-5-3-4-15(18)12-16)17(20)19-9-6-14(7-10-19)8-11-21-2/h3-5,12-14H,6-11H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one?
2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 325.84 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53150815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).