tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate

C16H30N2O3 — CID 134211121

IUPACtert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate
SMILESCC(O)CN1CCC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N2O3/c1-12(19)8-17-7-5-6-13(9-17)14-10-18(11-14)15(20)21-16(2,3)4/h12-14,19H,5-11H2,1-4H3/t12?,13-/m0/s1
InChIKeyYWJQXTXSOLJFRQ-ABLWVSNPSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds3

About tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate

tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate (PubChem CID 134211121) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate
PubChem CID134211121
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate
SMILESCC(O)CN1CCC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N2O3/c1-12(19)8-17-7-5-6-13(9-17)14-10-18(11-14)15(20)21-16(2,3)4/h12-14,19H,5-11H2,1-4H3/t12?,13-/m0/s1
InChIKeyYWJQXTXSOLJFRQ-ABLWVSNPSA-N
XLogP1.95
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate (CID 134211121) is tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate is CC(O)CN1CCC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate?
The InChIKey is YWJQXTXSOLJFRQ-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(19)8-17-7-5-6-13(9-17)14-10-18(11-14)15(20)21-16(2,3)4/h12-14,19H,5-11H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate?
tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3R)-1-(2-hydroxypropyl)piperidin-3-yl]azetidine-1-carboxylate is sourced from PubChem (CID 134211121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).