[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone

C20H24N2O2 — CID 110638188

IUPAC[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
SMILESCc1cccc(OCCN2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-17-6-5-9-19(16-17)24-15-14-21-10-12-22(13-11-21)20(23)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3
InChIKeyMHQNCSNJTHRSLI-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.83
Rot. Bonds5

About [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone

[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone (PubChem CID 110638188) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
PubChem CID110638188
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
SMILESCc1cccc(OCCN2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-17-6-5-9-19(16-17)24-15-14-21-10-12-22(13-11-21)20(23)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3
InChIKeyMHQNCSNJTHRSLI-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
(3-fluorophenyl)-[4-[2-(3-methylphenoxy)ethyl]-1,4-diazepan-1-yl]methanone
CID 78850559
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
(3-fluorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638138
(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638153
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
CID 35706233

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone (CID 110638188) is [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone is Cc1cccc(OCCN2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is MHQNCSNJTHRSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-17-6-5-9-19(16-17)24-15-14-21-10-12-22(13-11-21)20(23)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3.
What are the key properties of [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone?
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 324.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 110638188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).