tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate

C14H25NO3 — CID 155131478

IUPACtert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1O
InChIInChI=1S/C14H25NO3/c1-6-8-14(5)9-7-10-15(11(14)16)12(17)18-13(2,3)4/h6,11,16H,1,7-10H2,2-5H3/t11?,14-/m1/s1
InChIKeyHRWLXSMCORSJDU-SBXXRYSUSA-N
MW255.36 g/mol
LogP2.92
Rot. Bonds2

About tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate

tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate (PubChem CID 155131478) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
PubChem CID155131478
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1O
InChIInChI=1S/C14H25NO3/c1-6-8-14(5)9-7-10-15(11(14)16)12(17)18-13(2,3)4/h6,11,16H,1,7-10H2,2-5H3/t11?,14-/m1/s1
InChIKeyHRWLXSMCORSJDU-SBXXRYSUSA-N
XLogP2.92
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 ≤ 52.92
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 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate
CID 25155771
tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
CID 59825158
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
CID 99794930
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpyrrolidine-2-carboxylate
CID 6950456
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 86314284
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 22235304
tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate
CID 176829864
tert-butyl (2S)-2-hex-5-enoylpyrrolidine-1-carboxylate
CID 162183794
tert-butyl (2S)-2-hept-6-enoylpyrrolidine-1-carboxylate
CID 146165167
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4,4-bis(prop-2-enyl)pyrrolidine-2-carboxylic acid
CID 175259856
tert-butyl (8aS)-1,4-dioxo-8a-prop-2-enyl-3,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 170260862

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate (CID 155131478) is tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate is C=CC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1O.
What is the InChIKey of tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is HRWLXSMCORSJDU-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-8-14(5)9-7-10-15(11(14)16)12(17)18-13(2,3)4/h6,11,16H,1,7-10H2,2-5H3/t11?,14-/m1/s1.
What are the key properties of tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate?
tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 155131478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).