[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone

C18H19ClN2O2 — CID 83475674

IUPAC[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccccc1OCc1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C18H19ClN2O2/c19-16-7-3-1-5-14(16)13-23-17-8-4-2-6-15(17)18(22)21-11-9-20-10-12-21/h1-8,20H,9-13H2
InChIKeyUZWLKDNQKRVBEA-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.96
Rot. Bonds4

About [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone

[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone (PubChem CID 83475674) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
PubChem CID83475674
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccccc1OCc1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C18H19ClN2O2/c19-16-7-3-1-5-14(16)13-23-17-8-4-2-6-15(17)18(22)21-11-9-20-10-12-21/h1-8,20H,9-13H2
InChIKeyUZWLKDNQKRVBEA-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638428
[2-[(2-chlorophenyl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856709
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119415302
[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60590462
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 119595906
[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 119402980
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
CID 82509255

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone (CID 83475674) is [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone is O=C(c1ccccc1OCc1ccccc1Cl)N1CCNCC1.
What is the InChIKey of [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone?
The InChIKey is UZWLKDNQKRVBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-7-3-1-5-14(16)13-23-17-8-4-2-6-15(17)18(22)21-11-9-20-10-12-21/h1-8,20H,9-13H2.
What are the key properties of [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone?
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone has a molecular weight of 330.82 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 83475674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).