ethane;phenyl(piperazin-1-yl)methanone

C13H20N2O — CID 91566193

IUPACethane;phenyl(piperazin-1-yl)methanone
SMILESCC.O=C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C11H14N2O.C2H6/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13;1-2/h1-5,12H,6-9H2;1-2H3
InChIKeyNGYORJAYLFJBKA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.76
Rot. Bonds1

About ethane;phenyl(piperazin-1-yl)methanone

ethane;phenyl(piperazin-1-yl)methanone (PubChem CID 91566193) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is ethane;phenyl(piperazin-1-yl)methanone.

Molecular Properties

Compound Nameethane;phenyl(piperazin-1-yl)methanone
PubChem CID91566193
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nameethane;phenyl(piperazin-1-yl)methanone
SMILESCC.O=C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C11H14N2O.C2H6/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13;1-2/h1-5,12H,6-9H2;1-2H3
InChIKeyNGYORJAYLFJBKA-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
benzoic acid;tert-butyl piperazine-1-carboxylate;[(3R)-3-methylpiperazin-1-yl]-phenylmethanone;phenyl(piperazin-1-yl)methanone
CID 161118548
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
1,4-diazepan-1-yl-(4-phenoxyphenyl)methanone;hydrochloride
CID 119414642
benzoyl chloride;tert-butyl 4-benzoylpiperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N,N-diethylethanamine;phenyl(piperazin-1-yl)methanone
CID 158865992
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157

Frequently Asked Questions

What is the IUPAC name of ethane;phenyl(piperazin-1-yl)methanone?
The IUPAC name of ethane;phenyl(piperazin-1-yl)methanone (CID 91566193) is ethane;phenyl(piperazin-1-yl)methanone.
What is the SMILES notation for ethane;phenyl(piperazin-1-yl)methanone?
The canonical SMILES for ethane;phenyl(piperazin-1-yl)methanone is CC.O=C(c1ccccc1)N1CCNCC1.
What is the InChIKey of ethane;phenyl(piperazin-1-yl)methanone?
The InChIKey is NGYORJAYLFJBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2H6/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13;1-2/h1-5,12H,6-9H2;1-2H3.
What are the key properties of ethane;phenyl(piperazin-1-yl)methanone?
ethane;phenyl(piperazin-1-yl)methanone has a molecular weight of 220.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenyl(piperazin-1-yl)methanone is sourced from PubChem (CID 91566193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).