tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate

C15H26N2O2 — CID 172535316

IUPACtert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate
SMILESCC#CCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O2/c1-5-6-7-10-16-13-9-8-11-17(12-13)14(18)19-15(2,3)4/h13,16H,7-12H2,1-4H3/t13-/m1/s1
InChIKeyMNRQTFSJWMNGGX-CYBMUJFWSA-N
MW266.38 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate

tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate (PubChem CID 172535316) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate
PubChem CID172535316
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate
SMILESCC#CCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O2/c1-5-6-7-10-16-13-9-8-11-17(12-13)14(18)19-15(2,3)4/h13,16H,7-12H2,1-4H3/t13-/m1/s1
InChIKeyMNRQTFSJWMNGGX-CYBMUJFWSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
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CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
CID 103949538
tert-butyl (3R)-3-(prop-2-ynylamino)azepane-1-carboxylate
CID 164579162
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl 3-[(3-methoxy-3-methylbutyl)amino]azepane-1-carboxylate
CID 107249434
tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate
CID 106334856
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate (CID 172535316) is tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate is CC#CCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate?
The InChIKey is MNRQTFSJWMNGGX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-6-7-10-16-13-9-8-11-17(12-13)14(18)19-15(2,3)4/h13,16H,7-12H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate?
tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate is sourced from PubChem (CID 172535316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).