ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium

C19H25N2Y- — CID 160851157

IUPACethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium
SMILESCC.[Y].[c-]1ccc(Cc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H19N2.C2H6.Y/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)19-12-10-18-11-13-19;1-2;/h2-9,18H,10-14H2;1-2H3;/q-1;;
InChIKeyXYVDDTOEGAJODQ-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.51
Rot. Bonds3

About ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium

ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium (PubChem CID 160851157) has the molecular formula C19H25N2Y- and a molecular weight of 370.33 g/mol. Its IUPAC name is ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium.

Molecular Properties

Compound Nameethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium
PubChem CID160851157
Molecular FormulaC19H25N2Y-
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Nameethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium
SMILESCC.[Y].[c-]1ccc(Cc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H19N2.C2H6.Y/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)19-12-10-18-11-13-19;1-2;/h2-9,18H,10-14H2;1-2H3;/q-1;;
InChIKeyXYVDDTOEGAJODQ-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylphenyl)piperazine
CID 4738749
1-[4-[(4-iodophenyl)methyl]phenyl]piperazine
CID 4738775
1-[4-[(4-methylsulfanylphenyl)methyl]phenyl]piperazine
CID 4739565
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
1-[4-(2-methoxyethyl)phenyl]piperazine
CID 170986156
CID 157175446
CID 157175446
1-[4-(3-fluoropropyl)phenyl]piperazine
CID 59470555
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
1-[4-(1-fluoroethyl)phenyl]piperazine
CID 115025940
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine
CID 153390444
(4-piperazin-1-ylphenyl)methanesulfinic acid
CID 174675760

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium?
The IUPAC name of ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium (CID 160851157) is ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium.
What is the SMILES notation for ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium?
The canonical SMILES for ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium is CC.[Y].[c-]1ccc(Cc2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium?
The InChIKey is XYVDDTOEGAJODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2.C2H6.Y/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)19-12-10-18-11-13-19;1-2;/h2-9,18H,10-14H2;1-2H3;/q-1;;.
What are the key properties of ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium?
ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium has a molecular weight of 370.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(phenylmethyl)phenyl]piperazine;yttrium is sourced from PubChem (CID 160851157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).