potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide

C46H97KN7- — CID 156707594

IUPACpotassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide
SMILESCC.CC.CC(C)N1CCC(CC2CCNCC2)CC1.CC(C)N1CC[CH-]CC1.CC1CCN(CC2CCN(C(C)C)CC2)CC1.CN1CC[N-]CC1.[K+]
InChIInChI=1S/C15H30N2.C14H28N2.C8H16N.C5H11N2.2C2H6.K/c1-13(2)17-10-6-15(7-11-17)12-16-8-4-14(3)5-9-16;1-12(2)16-9-5-14(6-10-16)11-13-3-7-15-8-4-13;1-8(2)9-6-4-3-5-7-9;1-7-4-2-6-3-5-7;2*1-2;/h13-15H,4-12H2,1-3H3;12-15H,3-11H2,1-2H3;3,8H,4-7H2,1-2H3;2-5H2,1H3;2*1-2H3;/q;;2*-1;;;+1
InChIKeyZHWFSYFCJMWPEK-UHFFFAOYSA-N
MW787.43 g/mol
LogP6.39
Rot. Bonds7

About potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide

potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide (PubChem CID 156707594) has the molecular formula C46H97KN7- and a molecular weight of 787.43 g/mol. Its IUPAC name is potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide.

Molecular Properties

Compound Namepotassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide
PubChem CID156707594
Molecular FormulaC46H97KN7-
Molecular Weight787.43 g/mol
Exact Mass786.74
IUPAC Namepotassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide
SMILESCC.CC.CC(C)N1CCC(CC2CCNCC2)CC1.CC(C)N1CC[CH-]CC1.CC1CCN(CC2CCN(C(C)C)CC2)CC1.CN1CC[N-]CC1.[K+]
InChIInChI=1S/C15H30N2.C14H28N2.C8H16N.C5H11N2.2C2H6.K/c1-13(2)17-10-6-15(7-11-17)12-16-8-4-14(3)5-9-16;1-12(2)16-9-5-14(6-10-16)11-13-3-7-15-8-4-13;1-8(2)9-6-4-3-5-7-9;1-7-4-2-6-3-5-7;2*1-2;/h13-15H,4-12H2,1-3H3;12-15H,3-11H2,1-2H3;3,8H,4-7H2,1-2H3;2-5H2,1H3;2*1-2H3;/q;;2*-1;;;+1
InChIKeyZHWFSYFCJMWPEK-UHFFFAOYSA-N
XLogP6.39
TPSA42.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.43
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide?
The IUPAC name of potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide (CID 156707594) is potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide.
What is the SMILES notation for potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide?
The canonical SMILES for potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide is CC.CC.CC(C)N1CCC(CC2CCNCC2)CC1.CC(C)N1CC[CH-]CC1.CC1CCN(CC2CCN(C(C)C)CC2)CC1.CN1CC[N-]CC1.[K+].
What is the InChIKey of potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide?
The InChIKey is ZHWFSYFCJMWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C14H28N2.C8H16N.C5H11N2.2C2H6.K/c1-13(2)17-10-6-15(7-11-17)12-16-8-4-14(3)5-9-16;1-12(2)16-9-5-14(6-10-16)11-13-3-7-15-8-4-13;1-8(2)9-6-4-3-5-7-9;1-7-4-2-6-3-5-7;2*1-2;/h13-15H,4-12H2,1-3H3;12-15H,3-11H2,1-2H3;3,8H,4-7H2,1-2H3;2-5H2,1H3;2*1-2H3;/q;;2*-1;;;+1.
What are the key properties of potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide?
potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide has a molecular weight of 787.43 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide is sourced from PubChem (CID 156707594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).