tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate

C14H25NO3 — CID 162418806

IUPACtert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate
SMILESC=C(C)C(O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)12(16)11-6-8-15(9-7-11)13(17)18-14(3,4)5/h11-12,16H,1,6-9H2,2-5H3
InChIKeyMGBOXUXJTWVDLN-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate

tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate (PubChem CID 162418806) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate
PubChem CID162418806
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate
SMILESC=C(C)C(O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)12(16)11-6-8-15(9-7-11)13(17)18-14(3,4)5/h11-12,16H,1,6-9H2,2-5H3
InChIKeyMGBOXUXJTWVDLN-UHFFFAOYSA-N
XLogP2.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 3-hydroxy-4-methylidenepiperidine-1-carboxylate
CID 10584700
tert-Butyl 4-hydroxy-4-(prop-1-en-2-yl)piperidine-1-carboxylate
CID 53426744
tert-butyl (3R)-3-hydroxy-4-methylidenepiperidine-1-carboxylate
CID 86306882
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-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate
CID 164669586
Tert-butyl 4-(3-hydroxyprop-1-en-2-yl)piperidine-1-carboxylate
CID 10999165
1-Allyloxycarbonyl-4-(1-hydroxypropyl)piperidine
CID 15117274
Tert-butyl 4-(2-hydroxyethyl)-3-methylidenepiperidine-1-carboxylate
CID 15409679
1-Ethoxycarbonyl-4-hydroxy-4-[2-(dimethylaminomethyl)-2-propenyl]piperidine
CID 19980407

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate (CID 162418806) is tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate is C=C(C)C(O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate?
The InChIKey is MGBOXUXJTWVDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)12(16)11-6-8-15(9-7-11)13(17)18-14(3,4)5/h11-12,16H,1,6-9H2,2-5H3.
What are the key properties of tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate?
tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-hydroxy-2-methylprop-2-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 162418806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).