tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate

C15H28N2O3 — CID 129353870

IUPACtert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](N2CCC(O)CC2)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(19)17-8-4-5-12(11-17)16-9-6-13(18)7-10-16/h12-13,18H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyVMDADTJYOZYAGH-LBPRGKRZSA-N
MW284.40 g/mol
LogP1.84
Rot. Bonds1

About tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate

tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 129353870) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
PubChem CID129353870
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](N2CCC(O)CC2)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(19)17-8-4-5-12(11-17)16-9-6-13(18)7-10-16/h12-13,18H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyVMDADTJYOZYAGH-LBPRGKRZSA-N
XLogP1.84
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
CID 157216636
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
tert-butyl 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 138622116
tert-butyl (3S)-3-[(3S,4S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 138622117
tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 76644324
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate (CID 129353870) is tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](N2CCC(O)CC2)C1.
What is the InChIKey of tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is VMDADTJYOZYAGH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(19)17-8-4-5-12(11-17)16-9-6-13(18)7-10-16/h12-13,18H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 129353870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).