tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate

C14H28N2O3 — CID 82123975

IUPACtert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCCCO)CC1
InChIInChI=1S/C14H28N2O3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)7-5-4-6-12-17/h17H,4-12H2,1-3H3
InChIKeyAAALZLRQQQGASP-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.70
Rot. Bonds5

About tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate

tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate (PubChem CID 82123975) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
PubChem CID82123975
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCCCO)CC1
InChIInChI=1S/C14H28N2O3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)7-5-4-6-12-17/h17H,4-12H2,1-3H3
InChIKeyAAALZLRQQQGASP-UHFFFAOYSA-N
XLogP1.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
CID 139791303
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
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-[4-(5-hydroxypentyl)piperazin-1-yl]-4-oxobutanoate
CID 126836827
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 4-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperazine-1-carboxylate
CID 178069200
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
CID 107243480
tert-butyl 7-(5-hydroxypentyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 101261817
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate (CID 82123975) is tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCCCCO)CC1.
What is the InChIKey of tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate?
The InChIKey is AAALZLRQQQGASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)7-5-4-6-12-17/h17H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate?
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate is sourced from PubChem (CID 82123975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).