2-phenylpiperazine-1-carbonyl chloride

C11H13ClN2O — CID 154387784

IUPAC2-phenylpiperazine-1-carbonyl chloride
SMILESO=C(Cl)N1CCNCC1c1ccccc1
InChIInChI=1S/C11H13ClN2O/c12-11(15)14-7-6-13-8-10(14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyMJVOGLVLTCNGHU-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.99
Rot. Bonds1

About 2-phenylpiperazine-1-carbonyl chloride

2-phenylpiperazine-1-carbonyl chloride (PubChem CID 154387784) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-phenylpiperazine-1-carbonyl chloride.

Molecular Properties

Compound Name2-phenylpiperazine-1-carbonyl chloride
PubChem CID154387784
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-phenylpiperazine-1-carbonyl chloride
SMILESO=C(Cl)N1CCNCC1c1ccccc1
InChIInChI=1S/C11H13ClN2O/c12-11(15)14-7-6-13-8-10(14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyMJVOGLVLTCNGHU-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
morpholin-4-yl-(2-phenylpiperazin-1-yl)methanone
CID 128846745
2,2-dimethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 121446464
2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 82246038
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 125022040
(2R)-2-amino-1-[(2S)-2-phenylpiperazin-1-yl]-3-sulfanylpropan-1-one
CID 142251607
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(2-phenylpiperazin-1-yl)methanone
CID 128878274
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839

Frequently Asked Questions

What is the IUPAC name of 2-phenylpiperazine-1-carbonyl chloride?
The IUPAC name of 2-phenylpiperazine-1-carbonyl chloride (CID 154387784) is 2-phenylpiperazine-1-carbonyl chloride.
What is the SMILES notation for 2-phenylpiperazine-1-carbonyl chloride?
The canonical SMILES for 2-phenylpiperazine-1-carbonyl chloride is O=C(Cl)N1CCNCC1c1ccccc1.
What is the InChIKey of 2-phenylpiperazine-1-carbonyl chloride?
The InChIKey is MJVOGLVLTCNGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-11(15)14-7-6-13-8-10(14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2.
What are the key properties of 2-phenylpiperazine-1-carbonyl chloride?
2-phenylpiperazine-1-carbonyl chloride has a molecular weight of 224.69 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpiperazine-1-carbonyl chloride is sourced from PubChem (CID 154387784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).