[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone

C19H21ClN2O2 — CID 9209986

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H21ClN2O2/c1-24-14-15-5-4-6-16(13-15)19(23)22-11-9-21(10-12-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3
InChIKeyOITNNNKAXPKPQO-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.45
Rot. Bonds4

About [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone

[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone (PubChem CID 9209986) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
PubChem CID9209986
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H21ClN2O2/c1-24-14-15-5-4-6-16(13-15)19(23)22-11-9-21(10-12-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3
InChIKeyOITNNNKAXPKPQO-UHFFFAOYSA-N
XLogP3.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 27772255
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9368920
1-[[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9210040
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 78850073
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27005566
(3-chloro-4,5-dimethoxyphenyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 9082279
(4-benzylpiperazin-1-yl)-[3-[(2-chlorophenoxy)methyl]phenyl]methanone
CID 19289215
(4-benzhydrylpiperazin-4-ium-1-yl)-[3-(methoxymethyl)phenyl]methanone
CID 9041223
[4-(2-chlorophenyl)piperazin-1-yl]-[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
CID 17482771
[4-(2-chlorophenyl)piperazin-1-yl]-[3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]methanone
CID 3903383

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone (CID 9209986) is [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone is COCc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The InChIKey is OITNNNKAXPKPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-14-15-5-4-6-16(13-15)19(23)22-11-9-21(10-12-22)18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone has a molecular weight of 344.84 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 9209986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).