potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone

C11H21KN2O2 — CID 167519739

IUPACpotassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
SMILESCC(C)OCCCN1CCN([C-]=O)CC1.[K+]
InChIInChI=1S/C11H21N2O2.K/c1-11(2)15-9-3-4-12-5-7-13(10-14)8-6-12;/h11H,3-9H2,1-2H3;/q-1;+1
InChIKeyVAXTYOGTDZAXPS-UHFFFAOYSA-N
MW252.40 g/mol
LogP-2.51
Rot. Bonds6

About potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone

potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone (PubChem CID 167519739) has the molecular formula C11H21KN2O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepotassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
PubChem CID167519739
Molecular FormulaC11H21KN2O2
Molecular Weight252.40 g/mol
Exact Mass252.12
IUPAC Namepotassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
SMILESCC(C)OCCCN1CCN([C-]=O)CC1.[K+]
InChIInChI=1S/C11H21N2O2.K/c1-11(2)15-9-3-4-12-5-7-13(10-14)8-6-12;/h11H,3-9H2,1-2H3;/q-1;+1
InChIKeyVAXTYOGTDZAXPS-UHFFFAOYSA-N
XLogP-2.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 5-2.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
1-methyl-4-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]sulfonylpiperazine
CID 167867117
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213
1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 170569689
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601
2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane
CID 129270208

Frequently Asked Questions

What is the IUPAC name of potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone?
The IUPAC name of potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone (CID 167519739) is potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone is CC(C)OCCCN1CCN([C-]=O)CC1.[K+].
What is the InChIKey of potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone?
The InChIKey is VAXTYOGTDZAXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O2.K/c1-11(2)15-9-3-4-12-5-7-13(10-14)8-6-12;/h11H,3-9H2,1-2H3;/q-1;+1.
What are the key properties of potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone?
potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone has a molecular weight of 252.40 g/mol, XLogP of -2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 167519739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).