tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate

C14H25NO3 — CID 146167468

IUPACtert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate
SMILESC=CC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-5-6-12(16)11-7-9-15(10-8-11)13(17)18-14(2,3)4/h5,11-12,16H,1,6-10H2,2-4H3/t12-/m1/s1
InChIKeyGRKXVYRCMLCEHF-GFCCVEGCSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds3

About tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate

tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate (PubChem CID 146167468) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate
PubChem CID146167468
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate
SMILESC=CC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-5-6-12(16)11-7-9-15(10-8-11)13(17)18-14(2,3)4/h5,11-12,16H,1,6-10H2,2-4H3/t12-/m1/s1
InChIKeyGRKXVYRCMLCEHF-GFCCVEGCSA-N
XLogP2.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
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-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate
CID 162418806
tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate
CID 164669586
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)-1-hydroxybut-3-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate (CID 146167468) is tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate is C=CC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate?
The InChIKey is GRKXVYRCMLCEHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-6-12(16)11-7-9-15(10-8-11)13(17)18-14(2,3)4/h5,11-12,16H,1,6-10H2,2-4H3/t12-/m1/s1.
What are the key properties of tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate?
tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.57, 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)-1-hydroxybut-3-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 146167468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).