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

C19H21ClN2O2 — CID 78787888

IUPAC[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)24-15-14-21-10-12-22(13-11-21)19(23)16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyDVSJDPKLFCAMCE-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.18
Rot. Bonds5

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

[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone (PubChem CID 78787888) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
PubChem CID78787888
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)24-15-14-21-10-12-22(13-11-21)19(23)16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyDVSJDPKLFCAMCE-UHFFFAOYSA-N
XLogP3.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 33323564
[4-[2-(2-chlorophenoxy)ethyl]-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 78850557
N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
CID 78833168
[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 3144428
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 33324353
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119839292
[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 112814782
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone (CID 78787888) is [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is DVSJDPKLFCAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-8-4-5-9-18(17)24-15-14-21-10-12-22(13-11-21)19(23)16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone?
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 344.84 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 78787888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).