cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate

C15H24N2O2 — CID 123961314

IUPACcyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate
SMILESCC(N)C1CCN(C(=O)OCC2=CCCC=C2)CC1
InChIInChI=1S/C15H24N2O2/c1-12(16)14-7-9-17(10-8-14)15(18)19-11-13-5-3-2-4-6-13/h3,5-6,12,14H,2,4,7-11,16H2,1H3
InChIKeyFRZXRJRVMOZNTO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.46
Rot. Bonds3

About cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate

cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate (PubChem CID 123961314) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate
PubChem CID123961314
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate
SMILESCC(N)C1CCN(C(=O)OCC2=CCCC=C2)CC1
InChIInChI=1S/C15H24N2O2/c1-12(16)14-7-9-17(10-8-14)15(18)19-11-13-5-3-2-4-6-13/h3,5-6,12,14H,2,4,7-11,16H2,1H3
InChIKeyFRZXRJRVMOZNTO-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate (CID 123961314) is cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate is CC(N)C1CCN(C(=O)OCC2=CCCC=C2)CC1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate?
The InChIKey is FRZXRJRVMOZNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(16)14-7-9-17(10-8-14)15(18)19-11-13-5-3-2-4-6-13/h3,5-6,12,14H,2,4,7-11,16H2,1H3.
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate?
cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethyl 4-(1-aminoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 123961314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).