tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate

C14H26N2O3 — CID 155895775

IUPACtert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(O)C2CCNCC2)C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-8-11(9-16)12(17)10-4-6-15-7-5-10/h10-12,15,17H,4-9H2,1-3H3
InChIKeyKTFGAEBHUWNZOG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.21
Rot. Bonds2

About tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate

tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate (PubChem CID 155895775) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate
PubChem CID155895775
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(O)C2CCNCC2)C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-8-11(9-16)12(17)10-4-6-15-7-5-10/h10-12,15,17H,4-9H2,1-3H3
InChIKeyKTFGAEBHUWNZOG-UHFFFAOYSA-N
XLogP1.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(S)-cyclopropyl(hydroxy)methyl]azetidine-1-carboxylate
CID 154703134
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CID 71306003
tert-butyl (1S,5R)-6-[cyclopropyl(hydroxy)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175855267
tert-butyl 3-[(S)-cyclohexyl(hydroxy)methyl]pyrrolidine-1-carboxylate
CID 66892173
2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 58520870
tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate
CID 135396451
tert-butyl (1S,5R)-8-piperidin-4-yloxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 177118792
tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
CID 67289806
tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate
CID 86700515
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate (CID 155895775) is tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(O)C2CCNCC2)C1.
What is the InChIKey of tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate?
The InChIKey is KTFGAEBHUWNZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-8-11(9-16)12(17)10-4-6-15-7-5-10/h10-12,15,17H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate?
tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate is sourced from PubChem (CID 155895775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).