tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate

C16H29NO3 — CID 123712413

IUPACtert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate
SMILESC=C(CC)CC1CC(C)(O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-7-12(2)10-13-11-16(6,19)8-9-17(13)14(18)20-15(3,4)5/h13,19H,2,7-11H2,1,3-6H3
InChIKeyZZQVYHIBHBBKKA-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.49
Rot. Bonds3

About tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate (PubChem CID 123712413) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate
PubChem CID123712413
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate
SMILESC=C(CC)CC1CC(C)(O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-7-12(2)10-13-11-16(6,19)8-9-17(13)14(18)20-15(3,4)5/h13,19H,2,7-11H2,1,3-6H3
InChIKeyZZQVYHIBHBBKKA-UHFFFAOYSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.49
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 (2S)-2-[(2R)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate
CID 102286864
tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate
CID 102286865
Tert-butyl 4-hydroxy-4-(2-methylallyl)piperidine-1-carboxylate
CID 89141974
4-But-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid
CID 90418942
Tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebut-3-enyl)piperidine-1-carboxylate
CID 123485732
Tert-butyl 3-hydroxy-3-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 139971876
Tert-butyl 3-hydroxy-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 163609162
tert-butyl (2R,4R)-4-(hydroxymethyl)-2-methyl-4-(2-methylprop-2-enyl)piperidine-1-carboxylate
CID 165388882
Tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
CID 176766440
tert-butyl (2S,3R,6S)-3-butyl-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 12177412
tert-butyl (2R,6R)-4-hydroxy-2-pent-4-enyl-6-propan-2-ylpiperidine-1-carboxylate
CID 49782442
Tert-butyl 3-hept-6-enyl-4-hydroxypiperidine-1-carboxylate
CID 107010042

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate (CID 123712413) is tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate is C=C(CC)CC1CC(C)(O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate?
The InChIKey is ZZQVYHIBHBBKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-7-12(2)10-13-11-16(6,19)8-9-17(13)14(18)20-15(3,4)5/h13,19H,2,7-11H2,1,3-6H3.
What are the key properties of tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate is sourced from PubChem (CID 123712413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).