1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium

C15H30N3V- — CID 170616846

IUPAC1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium
SMILESCC(C)N1CCN(C[C-]2CCN(C(C)C)C2)CC1.[V]
InChIInChI=1S/C15H30N3.V/c1-13(2)17-9-7-16(8-10-17)11-15-5-6-18(12-15)14(3)4;/h13-14H,5-12H2,1-4H3;/q-1;
InChIKeyHELSKIXWEAMTMR-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.70
Rot. Bonds4

About 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium

1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium (PubChem CID 170616846) has the molecular formula C15H30N3V- and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium.

Molecular Properties

Compound Name1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium
PubChem CID170616846
Molecular FormulaC15H30N3V-
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium
SMILESCC(C)N1CCN(C[C-]2CCN(C(C)C)C2)CC1.[V]
InChIInChI=1S/C15H30N3.V/c1-13(2)17-9-7-16(8-10-17)11-15-5-6-18(12-15)14(3)4;/h13-14H,5-12H2,1-4H3;/q-1;
InChIKeyHELSKIXWEAMTMR-UHFFFAOYSA-N
XLogP1.70
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
potassium trifluoro-[(4-propan-2-ylpiperazin-1-yl)methyl]boranuide
CID 63702527
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-propan-2-ylpyrrolidin-3-id-3-ol;tungsten
CID 156621455
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
N-ethyl-N-[(1-propan-2-ylpiperidin-4-id-4-yl)methyl]propan-2-amine;yttrium
CID 156707002
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025
[4-methyl-1-(1-propan-2-ylpiperidin-4-id-4-yl)pentan-2-ylidene]azanide;yttrium
CID 153499368
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium?
The IUPAC name of 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium (CID 170616846) is 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium.
What is the SMILES notation for 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium?
The canonical SMILES for 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium is CC(C)N1CCN(C[C-]2CCN(C(C)C)C2)CC1.[V].
What is the InChIKey of 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium?
The InChIKey is HELSKIXWEAMTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N3.V/c1-13(2)17-9-7-16(8-10-17)11-15-5-6-18(12-15)14(3)4;/h13-14H,5-12H2,1-4H3;/q-1;.
What are the key properties of 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium?
1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium has a molecular weight of 303.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-id-3-yl)methyl]piperazine;vanadium is sourced from PubChem (CID 170616846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).