tert-butyl formate;piperazine-1-carboximidamide;hydrochloride

C10H23ClN4O2 — CID 174785913

IUPACtert-butyl formate;piperazine-1-carboximidamide;hydrochloride
SMILESCC(C)(C)OC=O.Cl.[H]/N=C(\N)N1CCNCC1
InChIInChI=1S/C5H12N4.C5H10O2.ClH/c6-5(7)9-3-1-8-2-4-9;1-5(2,3)7-4-6;/h8H,1-4H2,(H3,6,7);4H,1-3H3;1H
InChIKeyVWURIXUJEVJXQK-UHFFFAOYSA-N
MW266.77 g/mol
LogP0.16
Rot. Bonds1

About tert-butyl formate;piperazine-1-carboximidamide;hydrochloride

tert-butyl formate;piperazine-1-carboximidamide;hydrochloride (PubChem CID 174785913) has the molecular formula C10H23ClN4O2 and a molecular weight of 266.77 g/mol. Its IUPAC name is tert-butyl formate;piperazine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Nametert-butyl formate;piperazine-1-carboximidamide;hydrochloride
PubChem CID174785913
Molecular FormulaC10H23ClN4O2
Molecular Weight266.77 g/mol
Exact Mass266.15
IUPAC Nametert-butyl formate;piperazine-1-carboximidamide;hydrochloride
SMILESCC(C)(C)OC=O.Cl.[H]/N=C(\N)N1CCNCC1
InChIInChI=1S/C5H12N4.C5H10O2.ClH/c6-5(7)9-3-1-8-2-4-9;1-5(2,3)7-4-6;/h8H,1-4H2,(H3,6,7);4H,1-3H3;1H
InChIKeyVWURIXUJEVJXQK-UHFFFAOYSA-N
XLogP0.16
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;carbamic acid;piperazine
CID 174978332
tert-butyl formate;piperazine
CID 159581918
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CID 158801631
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CID 157274796
(4-amino-3-fluorophenyl)-piperazin-1-ylmethanone;tert-butyl formate
CID 158797916
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CID 66718935
tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397
tert-butyl formate;(3-chlorophenyl)-piperazin-1-ylmethanone
CID 174747134
tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone
CID 175327380
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
CID 174583212
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
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(4-aminopiperidin-4-yl)methanol;tert-butyl formate
CID 174950700

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;piperazine-1-carboximidamide;hydrochloride?
The IUPAC name of tert-butyl formate;piperazine-1-carboximidamide;hydrochloride (CID 174785913) is tert-butyl formate;piperazine-1-carboximidamide;hydrochloride.
What is the SMILES notation for tert-butyl formate;piperazine-1-carboximidamide;hydrochloride?
The canonical SMILES for tert-butyl formate;piperazine-1-carboximidamide;hydrochloride is CC(C)(C)OC=O.Cl.[H]/N=C(\N)N1CCNCC1.
What is the InChIKey of tert-butyl formate;piperazine-1-carboximidamide;hydrochloride?
The InChIKey is VWURIXUJEVJXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4.C5H10O2.ClH/c6-5(7)9-3-1-8-2-4-9;1-5(2,3)7-4-6;/h8H,1-4H2,(H3,6,7);4H,1-3H3;1H.
What are the key properties of tert-butyl formate;piperazine-1-carboximidamide;hydrochloride?
tert-butyl formate;piperazine-1-carboximidamide;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;piperazine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 174785913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).