tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate

C16H29NO3 — CID 11300576

IUPACtert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1OCC
InChIInChI=1S/C16H29NO3/c1-7-9-13-11-10-12(3)17(14(13)19-8-2)15(18)20-16(4,5)6/h7,12-14H,1,8-11H2,2-6H3/t12-,13-,14?/m1/s1
InChIKeyHYUPNKDKEVEEHE-ZFXTZCCVSA-N
MW283.41 g/mol
LogP3.96
Rot. Bonds4

About tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate

tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate (PubChem CID 11300576) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate
PubChem CID11300576
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1OCC
InChIInChI=1S/C16H29NO3/c1-7-9-13-11-10-12(3)17(14(13)19-8-2)15(18)20-16(4,5)6/h7,12-14H,1,8-11H2,2-6H3/t12-,13-,14?/m1/s1
InChIKeyHYUPNKDKEVEEHE-ZFXTZCCVSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-methyl-2-prop-2-enylpiperidine-1-carboxylate
CID 154608718
tert-butyl (2S,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
CID 11219718
tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
CID 134856938
Tert-butyl 4-[(4-ethenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 67596912
Tert-butyl 3-allyl-3-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 69907778
Tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
CID 163207425
Tert-butyl 4-(hex-5-enoxymethyl)piperidine-1-carboxylate
CID 172576300
tert-butyl (2R,5S)-2-methyl-5-prop-2-enylpiperidine-1-carboxylate
CID 15866864
tert-butyl (2R,3S,6R)-2-ethoxy-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
CID 101068990
tert-butyl (2R,4R)-4-methyl-2-prop-2-enylpiperidine-1-carboxylate
CID 102141143
Tert-butyl 4-hept-6-enoxy-4-methylpiperidine-1-carboxylate
CID 107007738
Tert-butyl 4-ethyl-4-hept-6-enoxypiperidine-1-carboxylate
CID 107007739

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate (CID 11300576) is tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate is C=CC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1OCC.
What is the InChIKey of tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is HYUPNKDKEVEEHE-ZFXTZCCVSA-N. The full InChI is InChI=1S/C16H29NO3/c1-7-9-13-11-10-12(3)17(14(13)19-8-2)15(18)20-16(4,5)6/h7,12-14H,1,8-11H2,2-6H3/t12-,13-,14?/m1/s1.
What are the key properties of tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate?
tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 11300576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).