ethane;molecular hydrogen;1-phenylpiperazine

C12H22N2 — CID 144544571

IUPACethane;molecular hydrogen;1-phenylpiperazine
SMILESCC.[H][H].c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H14N2.C2H6.H2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2;/h1-5,11H,6-9H2;1-2H3;1H
InChIKeyNULADVSPAKJNRJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.37
Rot. Bonds1

About ethane;molecular hydrogen;1-phenylpiperazine

ethane;molecular hydrogen;1-phenylpiperazine (PubChem CID 144544571) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;molecular hydrogen;1-phenylpiperazine.

Molecular Properties

Compound Nameethane;molecular hydrogen;1-phenylpiperazine
PubChem CID144544571
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;molecular hydrogen;1-phenylpiperazine
SMILESCC.[H][H].c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C10H14N2.C2H6.H2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2;/h1-5,11H,6-9H2;1-2H3;1H
InChIKeyNULADVSPAKJNRJ-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;1-phenylpiperazine?
The IUPAC name of ethane;molecular hydrogen;1-phenylpiperazine (CID 144544571) is ethane;molecular hydrogen;1-phenylpiperazine.
What is the SMILES notation for ethane;molecular hydrogen;1-phenylpiperazine?
The canonical SMILES for ethane;molecular hydrogen;1-phenylpiperazine is CC.[H][H].c1ccc(N2CCNCC2)cc1.
What is the InChIKey of ethane;molecular hydrogen;1-phenylpiperazine?
The InChIKey is NULADVSPAKJNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6.H2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2;/h1-5,11H,6-9H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;1-phenylpiperazine?
ethane;molecular hydrogen;1-phenylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;1-phenylpiperazine is sourced from PubChem (CID 144544571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).