N-phenylpiperidin-4-amine;propane;vanadium(2+)

C14H22N2V — CID 59881354

IUPACN-phenylpiperidin-4-amine;propane;vanadium(2+)
SMILES[CH2-]CC.[V+2].[c-]1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C11H15N2.C3H7.V/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;1-3-2;/h2-5,11-13H,6-9H2;1,3H2,2H3;/q2*-1;+2
InChIKeyGTYLKEPXKOYKND-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.88
Rot. Bonds2

About N-phenylpiperidin-4-amine;propane;vanadium(2+)

N-phenylpiperidin-4-amine;propane;vanadium(2+) (PubChem CID 59881354) has the molecular formula C14H22N2V and a molecular weight of 269.29 g/mol. Its IUPAC name is N-phenylpiperidin-4-amine;propane;vanadium(2+).

Molecular Properties

Compound NameN-phenylpiperidin-4-amine;propane;vanadium(2+)
PubChem CID59881354
Molecular FormulaC14H22N2V
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC NameN-phenylpiperidin-4-amine;propane;vanadium(2+)
SMILES[CH2-]CC.[V+2].[c-]1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C11H15N2.C3H7.V/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;1-3-2;/h2-5,11-13H,6-9H2;1,3H2,2H3;/q2*-1;+2
InChIKeyGTYLKEPXKOYKND-UHFFFAOYSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylpiperidin-4-amine;propane;vanadium(2+)?
The IUPAC name of N-phenylpiperidin-4-amine;propane;vanadium(2+) (CID 59881354) is N-phenylpiperidin-4-amine;propane;vanadium(2+).
What is the SMILES notation for N-phenylpiperidin-4-amine;propane;vanadium(2+)?
The canonical SMILES for N-phenylpiperidin-4-amine;propane;vanadium(2+) is [CH2-]CC.[V+2].[c-]1ccc(NC2CCNCC2)cc1.
What is the InChIKey of N-phenylpiperidin-4-amine;propane;vanadium(2+)?
The InChIKey is GTYLKEPXKOYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2.C3H7.V/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;1-3-2;/h2-5,11-13H,6-9H2;1,3H2,2H3;/q2*-1;+2.
What are the key properties of N-phenylpiperidin-4-amine;propane;vanadium(2+)?
N-phenylpiperidin-4-amine;propane;vanadium(2+) has a molecular weight of 269.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpiperidin-4-amine;propane;vanadium(2+) is sourced from PubChem (CID 59881354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).