(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate

C10H18N4O2 — CID 150222079

IUPAC(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)9(15)16-14-6-4-8(5-7-14)12-13-11/h8H,4-7H2,1-3H3
InChIKeyFTRVAQUMTQUHKL-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.27
Rot. Bonds2

About (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate

(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate (PubChem CID 150222079) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate
PubChem CID150222079
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)9(15)16-14-6-4-8(5-7-14)12-13-11/h8H,4-7H2,1-3H3
InChIKeyFTRVAQUMTQUHKL-UHFFFAOYSA-N
XLogP2.27
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Related Compounds

(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
methyl (2S,4R)-4-azido-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carboxylate
CID 46241940
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
tert-butyl 3-azidoazepane-1-carboxylate
CID 151358717
[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174503474
[4-(3-bromopropyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174448950
4-azido-1-(2-methylbutan-2-yl)piperidine
CID 141258940
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806

Frequently Asked Questions

What is the IUPAC name of (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate (CID 150222079) is (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(N=[N+]=[N-])CC1.
What is the InChIKey of (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is FTRVAQUMTQUHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3)9(15)16-14-6-4-8(5-7-14)12-13-11/h8H,4-7H2,1-3H3.
What are the key properties of (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate?
(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 226.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidopiperidin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 150222079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).