tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate

C14H25NO3 — CID 11265318

IUPACtert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESC=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCO
InChIInChI=1S/C14H25NO3/c1-5-11-10-15(8-6-12(11)7-9-16)13(17)18-14(2,3)4/h5,11-12,16H,1,6-10H2,2-4H3/t11-,12-/m0/s1
InChIKeyKVBWRJFQGKYGSP-RYUDHWBXSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds3

About tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate

tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 11265318) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID11265318
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESC=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCO
InChIInChI=1S/C14H25NO3/c1-5-11-10-15(8-6-12(11)7-9-16)13(17)18-14(2,3)4/h5,11-12,16H,1,6-10H2,2-4H3/t11-,12-/m0/s1
InChIKeyKVBWRJFQGKYGSP-RYUDHWBXSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
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

2-[(3R,4S)-1-[(tert-butoxy)carbonyl]-3-ethenylpiperidin-4-yl]acetic acid
CID 57071930
t-Butyl 3-allyl-4-hydroxypiperidine-1-carboxylate
CID 59827061
tert-butyl (3S,4R)-4-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-3-(hydroxymethyl)piperidine-1-carboxylate
CID 146633424
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 (3S,4R)-4-allyl-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 178185709
Ethyl 4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate
CID 10330841
Tert-butyl 4-(3-hydroxyprop-1-en-2-yl)piperidine-1-carboxylate
CID 10999165
Tert-butyl 4-(2-hydroxyethyl)-3-methylidenepiperidine-1-carboxylate
CID 15409679
Tert-butyl 4-(hydroxymethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate
CID 19364979
tert-Butyl (S)-4-(1-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 20672430

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate (CID 11265318) is tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate is C=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCO.
What is the InChIKey of tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is KVBWRJFQGKYGSP-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-11-10-15(8-6-12(11)7-9-16)13(17)18-14(2,3)4/h5,11-12,16H,1,6-10H2,2-4H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-3-ethenyl-4-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11265318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).