tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate

C18H34N2O2 — CID 104582368

IUPACtert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESC=CCCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-6-7-9-15(2)19-12-11-16-10-8-13-20(14-16)17(21)22-18(3,4)5/h6,15-16,19H,1,7-14H2,2-5H3
InChIKeyBAYPIAALVPYPPK-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.97
Rot. Bonds7

About tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 104582368) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID104582368
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESC=CCCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-6-7-9-15(2)19-12-11-16-10-8-13-20(14-16)17(21)22-18(3,4)5/h6,15-16,19H,1,7-14H2,2-5H3
InChIKeyBAYPIAALVPYPPK-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate (CID 104582368) is tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate is C=CCCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is BAYPIAALVPYPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-6-7-9-15(2)19-12-11-16-10-8-13-20(14-16)17(21)22-18(3,4)5/h6,15-16,19H,1,7-14H2,2-5H3.
What are the key properties of tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 104582368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).