tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate

C15H29NO3 — CID 102537940

IUPACtert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(O)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-14(2,3)12(17)11-9-7-8-10-16(11)13(18)19-15(4,5)6/h11-12,17H,7-10H2,1-6H3
InChIKeyPLNJOPWIYSYRBY-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.18
Rot. Bonds1

About tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate

tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate (PubChem CID 102537940) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
PubChem CID102537940
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(O)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-14(2,3)12(17)11-9-7-8-10-16(11)13(18)19-15(4,5)6/h11-12,17H,7-10H2,1-6H3
InChIKeyPLNJOPWIYSYRBY-UHFFFAOYSA-N
XLogP3.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
CID 102268021
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl (2S)-2-[(1R)-1-(dimethylamino)ethyl]piperidine-1-carboxylate
CID 97175237
2-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-2-yl]acetic acid
CID 83668029
tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
tert-butyl (2R)-2-[(1R)-1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 97174920
tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate
CID 97173182

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate (CID 102537940) is tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C(O)C(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate?
The InChIKey is PLNJOPWIYSYRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-14(2,3)12(17)11-9-7-8-10-16(11)13(18)19-15(4,5)6/h11-12,17H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate?
tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 102537940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).