tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate

C15H27NO2 — CID 162399040

IUPACtert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate
SMILESCCC/C=C/[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-5-6-7-10-13-11-8-9-12-16(13)14(17)18-15(2,3)4/h7,10,13H,5-6,8-9,11-12H2,1-4H3/b10-7+/t13-/m1/s1
InChIKeyDLDDOAKMSGRPOA-UTSBKAFOSA-N
MW253.39 g/mol
LogP4.13
Rot. Bonds3

About tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate (PubChem CID 162399040) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate
PubChem CID162399040
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate
SMILESCCC/C=C/[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-5-6-7-10-13-11-8-9-12-16(13)14(17)18-15(2,3)4/h7,10,13H,5-6,8-9,11-12H2,1-4H3/b10-7+/t13-/m1/s1
InChIKeyDLDDOAKMSGRPOA-UTSBKAFOSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 3-oxo-8-azabicyclo(3.2.1)oct-6-ene-8-carboxylate
CID 71607260
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
tert-butyl 2-[(2E)-3-bromoprop-2-en-1-yl]piperidine-1-carboxylate
CID 131238915
tert-butyl 4-[(E)-3-fluoroprop-1-enyl]piperidine-1-carboxylate
CID 134956364
tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 15202059
Tert-butyl 10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 72990834
Tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 73040298
Tert-butyl 4-(2-methylprop-1-enyl)piperidine-1-carboxylate
CID 176434249
Tert-butyl 2-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 10656811
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate (CID 162399040) is tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate is CCC/C=C/[C@@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate?
The InChIKey is DLDDOAKMSGRPOA-UTSBKAFOSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-6-7-10-13-11-8-9-12-16(13)14(17)18-15(2,3)4/h7,10,13H,5-6,8-9,11-12H2,1-4H3/b10-7+/t13-/m1/s1.
What are the key properties of tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 162399040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).