tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide

C51H101I9N6O8V2-3 — CID 158922285

IUPACtert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide
SMILESCC(C)(C)OC(=O)NC1CCN(C2(C)CCOCC2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CC1(N2CCC(N)CC2)CCOCC1.CCC(C)I.I[I-]I.I[V](I)I.I[V]I.O=C1CCOCC1.[CH2-]C.[CH2-]CC
InChIInChI=1S/C16H30N2O3.C11H22N2O.C10H20N2O2.C5H8O2.C4H9I.C3H7.C2H5.I3.5HI.2V/c1-15(2,3)21-14(19)17-13-5-9-18(10-6-13)16(4)7-11-20-12-8-16;1-11(4-8-14-9-5-11)13-6-2-10(12)3-7-13;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;6-5-1-3-7-4-2-5;1-3-4(2)5;1-3-2;1-2;1-3-2;;;;;;;/h13H,5-12H2,1-4H3,(H,17,19);10H,2-9,12H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);1-4H2;4H,3H2,1-2H3;1,3H2,2H3;1H2,2H3;;5*1H;;/q;;;;;3*-1;;;;;;+2;+3/p-5
InChIKeyRKSDMDMNILHUKU-UHFFFAOYSA-I
MW2170.43 g/mol
LogP12.64
Rot. Bonds5

About tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide

tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide (PubChem CID 158922285) has the molecular formula C51H101I9N6O8V2-3 and a molecular weight of 2170.43 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide
PubChem CID158922285
Molecular FormulaC51H101I9N6O8V2-3
Molecular Weight2170.43 g/mol
Exact Mass2169.80
IUPAC Nametert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide
SMILESCC(C)(C)OC(=O)NC1CCN(C2(C)CCOCC2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CC1(N2CCC(N)CC2)CCOCC1.CCC(C)I.I[I-]I.I[V](I)I.I[V]I.O=C1CCOCC1.[CH2-]C.[CH2-]CC
InChIInChI=1S/C16H30N2O3.C11H22N2O.C10H20N2O2.C5H8O2.C4H9I.C3H7.C2H5.I3.5HI.2V/c1-15(2,3)21-14(19)17-13-5-9-18(10-6-13)16(4)7-11-20-12-8-16;1-11(4-8-14-9-5-11)13-6-2-10(12)3-7-13;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;6-5-1-3-7-4-2-5;1-3-4(2)5;1-3-2;1-2;1-3-2;;;;;;;/h13H,5-12H2,1-4H3,(H,17,19);10H,2-9,12H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);1-4H2;4H,3H2,1-2H3;1,3H2,2H3;1H2,2H3;;5*1H;;/q;;;;;3*-1;;;;;;+2;+3/p-5
InChIKeyRKSDMDMNILHUKU-UHFFFAOYSA-I
XLogP12.64
TPSA165.95 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002170.43
LogP ≤ 512.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide with MolForge

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Related Compounds

tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one
CID 157263405
tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;triiodide
CID 160554558
tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-(1-methylcyclohexyl)piperidin-4-amine;oxan-4-one;triiodide
CID 161856162
tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethane;2-iodobutane;methane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;vanadium;triiodide
CID 162234323

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide?
The IUPAC name of tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide (CID 158922285) is tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide.
What is the SMILES notation for tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide?
The canonical SMILES for tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide is CC(C)(C)OC(=O)NC1CCN(C2(C)CCOCC2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CC1(N2CCC(N)CC2)CCOCC1.CCC(C)I.I[I-]I.I[V](I)I.I[V]I.O=C1CCOCC1.[CH2-]C.[CH2-]CC.
What is the InChIKey of tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide?
The InChIKey is RKSDMDMNILHUKU-UHFFFAOYSA-I. The full InChI is InChI=1S/C16H30N2O3.C11H22N2O.C10H20N2O2.C5H8O2.C4H9I.C3H7.C2H5.I3.5HI.2V/c1-15(2,3)21-14(19)17-13-5-9-18(10-6-13)16(4)7-11-20-12-8-16;1-11(4-8-14-9-5-11)13-6-2-10(12)3-7-13;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;6-5-1-3-7-4-2-5;1-3-4(2)5;1-3-2;1-2;1-3-2;;;;;;;/h13H,5-12H2,1-4H3,(H,17,19);10H,2-9,12H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);1-4H2;4H,3H2,1-2H3;1,3H2,2H3;1H2,2H3;;5*1H;;/q;;;;;3*-1;;;;;;+2;+3/p-5.
What are the key properties of tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide?
tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide has a molecular weight of 2170.43 g/mol, XLogP of 12.64, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide is sourced from PubChem (CID 158922285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).