[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate

C14H28N2O3 — CID 174949673

IUPAC[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCCCOCCN1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-5-11-18-12-10-15-6-8-16(9-7-15)19-13(17)14(2,3)4/h5-12H2,1-4H3
InChIKeyIRPRIXLTGYEJQD-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.53
Rot. Bonds6

About [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate

[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174949673) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174949673
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCCCOCCN1CCN(OC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-5-11-18-12-10-15-6-8-16(9-7-15)19-13(17)14(2,3)4/h5-12H2,1-4H3
InChIKeyIRPRIXLTGYEJQD-UHFFFAOYSA-N
XLogP1.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-bromopropyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174567323
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
CID 106454666
2-(azepan-1-yl)-1-[4-(2-propoxyethyl)piperazin-1-yl]ethanone
CID 131910093
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
CID 166151976
[4-(2-bromoacetyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174607593
[4-[(4-bromophenyl)methyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174733919
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
1-[(1R,5S)-6-[[4-(2-propoxyethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 56912020
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121

Frequently Asked Questions

What is the IUPAC name of [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate (CID 174949673) is [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate is CCCOCCN1CCN(OC(=O)C(C)(C)C)CC1.
What is the InChIKey of [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is IRPRIXLTGYEJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-11-18-12-10-15-6-8-16(9-7-15)19-13(17)14(2,3)4/h5-12H2,1-4H3.
What are the key properties of [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate?
[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 272.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174949673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).