tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate

C14H25NO2 — CID 102141143

IUPACtert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-7-12-10-11(2)8-9-15(12)13(16)17-14(3,4)5/h6,11-12H,1,7-10H2,2-5H3/t11-,12-/m1/s1
InChIKeyKQCAJVNPABYGIY-VXGBXAGGSA-N
MW239.36 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate

tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate (PubChem CID 102141143) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate
PubChem CID102141143
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-7-12-10-11(2)8-9-15(12)13(16)17-14(3,4)5/h6,11-12H,1,7-10H2,2-5H3/t11-,12-/m1/s1
InChIKeyKQCAJVNPABYGIY-VXGBXAGGSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Vinyl-piperidine-1-carboxylic acid tert-butyl ester
CID 9990740
tert-Butyl 4-ethenylpiperidine-1-carboxylate
CID 10910832
Tert-butyl 4-(2-bromoethenyl)piperidine-1-carboxylate
CID 137699023
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
tert-butyl 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101898071
tert-butyl 2-[(2E)-3-bromoprop-2-en-1-yl]piperidine-1-carboxylate
CID 131238915
Tert-butyl 4-(1-fluoroprop-2-enyl)piperidine-1-carboxylate
CID 138974662
tert-butyl (2S,6R)-2-methyl-6-[(E)-2-tributylstannylethenyl]piperidine-1-carboxylate
CID 11214460
tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate
CID 134842827
Tert-butyl 2-allylpiperidine-1-carboxylate
CID 10656811
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
tert-Butyl 3-allyl-4-oxopiperidine-1-carboxylate
CID 19391143

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate (CID 102141143) is tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate is C=CC[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is KQCAJVNPABYGIY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-7-12-10-11(2)8-9-15(12)13(16)17-14(3,4)5/h6,11-12H,1,7-10H2,2-5H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate?
tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 102141143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).