1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone

C16H21Cl2N3O2 — CID 97143351

IUPAC1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
SMILESO=C(C[C@H]1CNCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H21Cl2N3O2/c17-14-2-1-12(9-15(14)18)20-4-6-21(7-5-20)16(22)10-13-11-19-3-8-23-13/h1-2,9,13,19H,3-8,10-11H2/t13-/m0/s1
InChIKeyMGKOJUATLAUZFH-ZDUSSCGKSA-N
MW358.27 g/mol
LogP2.02
Rot. Bonds3

About 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone (PubChem CID 97143351) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
PubChem CID97143351
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
SMILESO=C(C[C@H]1CNCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H21Cl2N3O2/c17-14-2-1-12(9-15(14)18)20-4-6-21(7-5-20)16(22)10-13-11-19-3-8-23-13/h1-2,9,13,19H,3-8,10-11H2/t13-/m0/s1
InChIKeyMGKOJUATLAUZFH-ZDUSSCGKSA-N
XLogP2.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone (CID 97143351) is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone is O=C(C[C@H]1CNCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone?
The InChIKey is MGKOJUATLAUZFH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c17-14-2-1-12(9-15(14)18)20-4-6-21(7-5-20)16(22)10-13-11-19-3-8-23-13/h1-2,9,13,19H,3-8,10-11H2/t13-/m0/s1.
What are the key properties of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone?
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone has a molecular weight of 358.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone is sourced from PubChem (CID 97143351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).