tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate

C15H30N2O4 — CID 139791303

IUPACtert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOCCCCO)CC1
InChIInChI=1S/C15H30N2O4/c1-15(2,3)21-14(19)17-8-6-16(7-9-17)10-13-20-12-5-4-11-18/h18H,4-13H2,1-3H3
InChIKeyVGWAIXFCESEGMR-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.33
Rot. Bonds7

About tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate (PubChem CID 139791303) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
PubChem CID139791303
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Nametert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOCCCCO)CC1
InChIInChI=1S/C15H30N2O4/c1-15(2,3)21-14(19)17-8-6-16(7-9-17)10-13-20-12-5-4-11-18/h18H,4-13H2,1-3H3
InChIKeyVGWAIXFCESEGMR-UHFFFAOYSA-N
XLogP1.33
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
tert-butyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperazine-1-carboxylate
CID 178069200
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propane-1-sulfinic acid
CID 58575809
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate;oxalic acid
CID 134129754
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
CID 107243480
tert-butyl 3-[5-(5-hydroxypentoxy)pentoxy]azetidine-1-carboxylate
CID 134489072
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 4-[3-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]propyl]piperazine-1-carboxylate
CID 111946201
tert-butyl 4-[4-(5-hydroxypentyl)piperazin-1-yl]-4-oxobutanoate
CID 126836827

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate (CID 139791303) is tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCOCCCCO)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate?
The InChIKey is VGWAIXFCESEGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-15(2,3)21-14(19)17-8-6-16(7-9-17)10-13-20-12-5-4-11-18/h18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 139791303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).