carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)

C9H17NO3V — CID 20707842

IUPACcarbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)
SMILESO=[C-]N1CCC(CC(O)O)CC1.[CH3-].[V+2]
InChIInChI=1S/C8H14NO3.CH3.V/c10-6-9-3-1-7(2-4-9)5-8(11)12;;/h7-8,11-12H,1-5H2;1H3;/q2*-1;+2
InChIKeySMZQLTKMCUUUDN-UHFFFAOYSA-N
MW238.18 g/mol
LogP-0.09
Rot. Bonds3

About carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)

carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+) (PubChem CID 20707842) has the molecular formula C9H17NO3V and a molecular weight of 238.18 g/mol. Its IUPAC name is carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+).

Molecular Properties

Compound Namecarbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)
PubChem CID20707842
Molecular FormulaC9H17NO3V
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Namecarbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)
SMILESO=[C-]N1CCC(CC(O)O)CC1.[CH3-].[V+2]
InChIInChI=1S/C8H14NO3.CH3.V/c10-6-9-3-1-7(2-4-9)5-8(11)12;;/h7-8,11-12H,1-5H2;1H3;/q2*-1;+2
InChIKeySMZQLTKMCUUUDN-UHFFFAOYSA-N
XLogP-0.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten
CID 157367421
3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium
CID 176578268
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
2-(4,4-diethylcyclohexyl)ethane-1,1-diol
CID 123911610
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid
CID 83983047
2-amino-3-cyclobutylpropanamide
CID 65458295
3-cyclohexyl-2-hydroxy-N-piperidin-1-ylpropanamide
CID 22014019
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
CID 112709329

Frequently Asked Questions

What is the IUPAC name of carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)?
The IUPAC name of carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+) (CID 20707842) is carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+).
What is the SMILES notation for carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)?
The canonical SMILES for carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+) is O=[C-]N1CCC(CC(O)O)CC1.[CH3-].[V+2].
What is the InChIKey of carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)?
The InChIKey is SMZQLTKMCUUUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3.CH3.V/c10-6-9-3-1-7(2-4-9)5-8(11)12;;/h7-8,11-12H,1-5H2;1H3;/q2*-1;+2.
What are the key properties of carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+)?
carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+) has a molecular weight of 238.18 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[4-(2,2-dihydroxyethyl)piperidin-1-yl]methanone;vanadium(2+) is sourced from PubChem (CID 20707842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).