tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate

C10H21N3O2 — CID 71023711

IUPACtert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
SMILESCC(C)(C)OC(=O)NN[C@@H]1CCCNC1
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-12-8-5-4-6-11-7-8/h8,11-12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyQOBUCUTUULGTCS-MRVPVSSYSA-N
MW215.30 g/mol
LogP0.77
Rot. Bonds2

About tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate

tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate (PubChem CID 71023711) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
PubChem CID71023711
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
SMILESCC(C)(C)OC(=O)NN[C@@H]1CCCNC1
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-12-8-5-4-6-11-7-8/h8,11-12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyQOBUCUTUULGTCS-MRVPVSSYSA-N
XLogP0.77
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 157216314
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
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tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
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tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
CID 98052999
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate?
The IUPAC name of tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate (CID 71023711) is tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate is CC(C)(C)OC(=O)NN[C@@H]1CCCNC1.
What is the InChIKey of tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate?
The InChIKey is QOBUCUTUULGTCS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-12-8-5-4-6-11-7-8/h8,11-12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1.
What are the key properties of tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate?
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate has a molecular weight of 215.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate is sourced from PubChem (CID 71023711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).