tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate

C19H33NO3 — CID 123972526

IUPACtert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate
SMILESCC=C(C)C(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)=C(C)C
InChIInChI=1S/C19H33NO3/c1-8-15(4)16(14(2)3)13-19(22)9-11-20(12-10-19)17(21)23-18(5,6)7/h8,22H,9-13H2,1-7H3
InChIKeyGUENUFHZJSTCHH-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.44
Rot. Bonds3

About tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate (PubChem CID 123972526) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate
PubChem CID123972526
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate
SMILESCC=C(C)C(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)=C(C)C
InChIInChI=1S/C19H33NO3/c1-8-15(4)16(14(2)3)13-19(22)9-11-20(12-10-19)17(21)23-18(5,6)7/h8,22H,9-13H2,1-7H3
InChIKeyGUENUFHZJSTCHH-UHFFFAOYSA-N
XLogP4.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
CID 176766440
tert-butyl 4-(cyclopropylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 177053161
tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
CID 145290232
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
tert-butyl 9-(2-ethoxy-2-oxoethyl)-9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate
CID 176890588
tert-butyl 4,4-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 86719232
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate (CID 123972526) is tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate is CC=C(C)C(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)=C(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate?
The InChIKey is GUENUFHZJSTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-8-15(4)16(14(2)3)13-19(22)9-11-20(12-10-19)17(21)23-18(5,6)7/h8,22H,9-13H2,1-7H3.
What are the key properties of tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 4.44, 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-(3-methyl-2-propan-2-ylidenepent-3-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 123972526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).