1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)

C25H35N3O2V — CID 59036852

IUPAC1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)
SMILES[CH2-]CNC(=O)OC(C)(C)C.[V+2].[c-]1ccc(NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N2.C7H14NO2.V/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17;1-5-8-6(9)10-7(2,3)4;/h1,3-10,18-19H,11-15H2;1,5H2,2-4H3,(H,8,9);/q2*-1;+2
InChIKeyUZTYTZUJVPVGJA-UHFFFAOYSA-N
MW460.52 g/mol
LogP4.91
Rot. Bonds5

About 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)

1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+) (PubChem CID 59036852) has the molecular formula C25H35N3O2V and a molecular weight of 460.52 g/mol. Its IUPAC name is 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+).

Molecular Properties

Compound Name1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)
PubChem CID59036852
Molecular FormulaC25H35N3O2V
Molecular Weight460.52 g/mol
Exact Mass460.22
IUPAC Name1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)
SMILES[CH2-]CNC(=O)OC(C)(C)C.[V+2].[c-]1ccc(NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N2.C7H14NO2.V/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17;1-5-8-6(9)10-7(2,3)4;/h1,3-10,18-19H,11-15H2;1,5H2,2-4H3,(H,8,9);/q2*-1;+2
InChIKeyUZTYTZUJVPVGJA-UHFFFAOYSA-N
XLogP4.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
CID 3217175
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]heptyl]carbamate
CID 53316899
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
CID 53324839
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
tert-Butyl (cis-4-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)carbamate
CID 72735990
tert-Butyl (trans-4-((3,4-Dihydroisoquinolin-2(1H)-yl)methyl)cyclohexyl)carbamate
CID 72736379

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)?
The IUPAC name of 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+) (CID 59036852) is 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+).
What is the SMILES notation for 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)?
The canonical SMILES for 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+) is [CH2-]CNC(=O)OC(C)(C)C.[V+2].[c-]1ccc(NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)?
The InChIKey is UZTYTZUJVPVGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2.C7H14NO2.V/c1-3-7-16(8-4-1)15-20-13-11-18(12-14-20)19-17-9-5-2-6-10-17;1-5-8-6(9)10-7(2,3)4;/h1,3-10,18-19H,11-15H2;1,5H2,2-4H3,(H,8,9);/q2*-1;+2.
What are the key properties of 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+)?
1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+) has a molecular weight of 460.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-phenylpiperidin-4-amine;tert-butyl N-ethylcarbamate;vanadium(2+) is sourced from PubChem (CID 59036852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).