tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate

C15H27NO3 — CID 176766440

IUPACtert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
SMILESC=CCCCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-5-6-7-8-15(18)9-11-16(12-10-15)13(17)19-14(2,3)4/h5,18H,1,6-12H2,2-4H3
InChIKeyUEOMUZBVLVGCQZ-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.10
Rot. Bonds4

About tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate

tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate (PubChem CID 176766440) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
PubChem CID176766440
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
SMILESC=CCCCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-5-6-7-8-15(18)9-11-16(12-10-15)13(17)19-14(2,3)4/h5,18H,1,6-12H2,2-4H3
InChIKeyUEOMUZBVLVGCQZ-UHFFFAOYSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-pent-4-enylpyrrolidine-3-carboxylic acid
CID 79426257
4-but-3-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 53417926
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
ditert-butyl 7-hex-5-enyl-1,4,7-triazonan-7-ium-1,4-dicarboxylate
CID 140674867
tert-butyl 3-ethyl-3-hept-6-enoxypyrrolidine-1-carboxylate
CID 107007740
tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 168683869
tert-butyl 3-hydroxy-3-non-8-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171960218
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate (CID 176766440) is tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate is C=CCCCC1(O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate?
The InChIKey is UEOMUZBVLVGCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-6-7-8-15(18)9-11-16(12-10-15)13(17)19-14(2,3)4/h5,18H,1,6-12H2,2-4H3.
What are the key properties of tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.10, 4 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-pent-4-enylpiperidine-1-carboxylate is sourced from PubChem (CID 176766440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).