tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate

C15H27NO3 — CID 164669586

IUPACtert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate
SMILESC=C[C@H](C)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-6-11(2)13(17)12-7-9-16(10-8-12)14(18)19-15(3,4)5/h6,11-13,17H,1,7-10H2,2-5H3/t11-,13-/m0/s1
InChIKeyXXELUSWBGXJIKZ-AAEUAGOBSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds3

About tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate

tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate (PubChem CID 164669586) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate
PubChem CID164669586
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate
SMILESC=C[C@H](C)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-6-11(2)13(17)12-7-9-16(10-8-12)14(18)19-15(3,4)5/h6,11-13,17H,1,7-10H2,2-5H3/t11-,13-/m0/s1
InChIKeyXXELUSWBGXJIKZ-AAEUAGOBSA-N
XLogP2.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-ethenyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 147743570
Tert-butyl 4-allyl-4-hydroxypiperidine-1-carboxylate
CID 21955339
t-Butyl 3-allyl-4-hydroxypiperidine-1-carboxylate
CID 59827061
t-Butyl (3r,4s)-4-hydroxy-3-(3-methylbut-2-en-1-yl)piperidine-1-carboxylate
CID 129759215
t-Butyl (3r,4s)-3-allyl-4-hydroxypiperidine-1-carboxylate
CID 129759630
tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate
CID 146167468
Tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate
CID 162418806
tert-butyl (3S,4R)-4-allyl-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 178185709
Ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate
CID 10330841
(3R,4S)-4-(2-hydroxy-ethyl)-3-vinyl-piperidine-1-carboxylic acid tert-butyl ester
CID 11265318
1-Allyloxycarbonyl-4-(1-hydroxypropyl)piperidine
CID 15117274
1-Ethoxycarbonyl-4-hydroxy-4-[2-(dimethylaminomethyl)-2-propenyl]piperidine
CID 19980407

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate (CID 164669586) is tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate is C=C[C@H](C)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate?
The InChIKey is XXELUSWBGXJIKZ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-11(2)13(17)12-7-9-16(10-8-12)14(18)19-15(3,4)5/h6,11-13,17H,1,7-10H2,2-5H3/t11-,13-/m0/s1.
What are the key properties of tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate?
tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 164669586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).