tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine

C14H28N2O2 — CID 174972333

IUPACtert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine
SMILESCC(C)(C)OC=O.CC1CNCCN1CC1CC1
InChIInChI=1S/C9H18N2.C5H10O2/c1-8-6-10-4-5-11(8)7-9-2-3-9;1-5(2,3)7-4-6/h8-10H,2-7H2,1H3;4H,1-3H3
InChIKeyYHVZSSQMQBBVRX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine

tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine (PubChem CID 174972333) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine.

Molecular Properties

Compound Nametert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine
PubChem CID174972333
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine
SMILESCC(C)(C)OC=O.CC1CNCCN1CC1CC1
InChIInChI=1S/C9H18N2.C5H10O2/c1-8-6-10-4-5-11(8)7-9-2-3-9;1-5(2,3)7-4-6/h8-10H,2-7H2,1H3;4H,1-3H3
InChIKeyYHVZSSQMQBBVRX-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine?
The IUPAC name of tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine (CID 174972333) is tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine.
What is the SMILES notation for tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine?
The canonical SMILES for tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine is CC(C)(C)OC=O.CC1CNCCN1CC1CC1.
What is the InChIKey of tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine?
The InChIKey is YHVZSSQMQBBVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C5H10O2/c1-8-6-10-4-5-11(8)7-9-2-3-9;1-5(2,3)7-4-6/h8-10H,2-7H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine?
tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine has a molecular weight of 256.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(cyclopropylmethyl)-2-methylpiperazine is sourced from PubChem (CID 174972333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).