tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate

C16H30N2O3 — CID 103854342

IUPACtert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
SMILESC=CCCOCCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-5-6-12-20-13-9-17-14-7-10-18(11-8-14)15(19)21-16(2,3)4/h5,14,17H,1,6-13H2,2-4H3
InChIKeyFFSVBMUESBZAFJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.57
Rot. Bonds7

About tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate

tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate (PubChem CID 103854342) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
PubChem CID103854342
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
SMILESC=CCCOCCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-5-6-12-20-13-9-17-14-7-10-18(11-8-14)15(19)21-16(2,3)4/h5,14,17H,1,6-13H2,2-4H3
InChIKeyFFSVBMUESBZAFJ-UHFFFAOYSA-N
XLogP2.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (3S,4R)-4-[(tert-butoxycarbonyl)amino}-3-(prop-2-en-1-yloxy)piperidine-1-carboxylate
CID 58074870
Ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidine-1-carboxylate
CID 76687453
Tert-butyl 4-(but-3-enylamino)piperidine-1-carboxylate
CID 116032392
cis(+/-)Ethyl-3-(allyloxy)-4-[(tert-butoxycarbonyl)amino]piperidine-1-carboxylate
CID 131730314
tert-butyl (4aR,8aS)-1,2,3,4a,5,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate
CID 156519613
tert-butyl N-[2-[3-(4-aminopiperidin-1-yl)propoxy]ethyl]-N-(3-ethylpent-4-enyl)carbamate
CID 169632745
tert-butyl N-[2-[3-(4-aminopiperidin-1-yl)propoxy]ethyl]-N-pent-4-enylcarbamate
CID 169971071
tert-Butyl 4-(2-ethoxyethylamino)piperidine-1-carboxylate
CID 43652209
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
Tert-butyl 4-(1-ethoxypropan-2-ylamino)piperidine-1-carboxylate
CID 61821493
Ethyl 4-(but-3-enylamino)piperidine-1-carboxylate
CID 64315104
Ethyl 4-(pent-4-enylamino)piperidine-1-carboxylate
CID 64315105

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate (CID 103854342) is tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate is C=CCCOCCNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate?
The InChIKey is FFSVBMUESBZAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-6-12-20-13-9-17-14-7-10-18(11-8-14)15(19)21-16(2,3)4/h5,14,17H,1,6-13H2,2-4H3.
What are the key properties of tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate?
tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 103854342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).