tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate

C17H33NO3 — CID 79561025

IUPACtert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate
SMILESCCCC(O)C(CC)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3/c1-6-10-15(19)13(7-2)14-11-8-9-12-18(14)16(20)21-17(3,4)5/h13-15,19H,6-12H2,1-5H3
InChIKeyYSLDXYHGJXGZFG-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.96
Rot. Bonds5

About tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate

tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate (PubChem CID 79561025) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate
PubChem CID79561025
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nametert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate
SMILESCCCC(O)C(CC)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3/c1-6-10-15(19)13(7-2)14-11-8-9-12-18(14)16(20)21-17(3,4)5/h13-15,19H,6-12H2,1-5H3
InChIKeyYSLDXYHGJXGZFG-UHFFFAOYSA-N
XLogP3.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
CID 102537940
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 134373593
tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
CID 102268021
tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate
CID 97173182
tert-butyl (2R)-2-[(1S)-1-(ethylamino)ethyl]piperidine-1-carboxylate
CID 97177417

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate (CID 79561025) is tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate is CCCC(O)C(CC)C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate?
The InChIKey is YSLDXYHGJXGZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-6-10-15(19)13(7-2)14-11-8-9-12-18(14)16(20)21-17(3,4)5/h13-15,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate?
tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate has a molecular weight of 299.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 79561025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).