methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate

C12H23N5O2 — CID 66191601

IUPACmethyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NCCN=[N+]=[N-])CCN(C(C)C)CC1
InChIInChI=1S/C12H23N5O2/c1-10(2)17-8-4-12(5-9-17,11(18)19-3)14-6-7-15-16-13/h10,14H,4-9H2,1-3H3
InChIKeySQCBNCZHVMLNLX-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.30
Rot. Bonds6

About methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate

methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate (PubChem CID 66191601) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate
PubChem CID66191601
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Namemethyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NCCN=[N+]=[N-])CCN(C(C)C)CC1
InChIInChI=1S/C12H23N5O2/c1-10(2)17-8-4-12(5-9-17,11(18)19-3)14-6-7-15-16-13/h10,14H,4-9H2,1-3H3
InChIKeySQCBNCZHVMLNLX-UHFFFAOYSA-N
XLogP1.30
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate (CID 66191601) is methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate is COC(=O)C1(NCCN=[N+]=[N-])CCN(C(C)C)CC1.
What is the InChIKey of methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is SQCBNCZHVMLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-10(2)17-8-4-12(5-9-17,11(18)19-3)14-6-7-15-16-13/h10,14H,4-9H2,1-3H3.
What are the key properties of methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate?
methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 269.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 66191601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).