(3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine

C11H22N2O2 — CID 146364052

IUPAC(3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine
SMILESCC(C)(C)OC1OC1N[C@@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10-9(14-10)13-8-5-4-6-12-7-8/h8-10,12-13H,4-7H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyDKQDZRTZIMDLBU-XNWIYYODSA-N
MW214.31 g/mol
LogP0.83
Rot. Bonds3

About (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine

(3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine (PubChem CID 146364052) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine
PubChem CID146364052
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine
SMILESCC(C)(C)OC1OC1N[C@@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10-9(14-10)13-8-5-4-6-12-7-8/h8-10,12-13H,4-7H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyDKQDZRTZIMDLBU-XNWIYYODSA-N
XLogP0.83
TPSA45.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine
CID 93493219
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
N-cyclopentylazepan-3-amine
CID 82934004
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
N-cycloheptylazepan-3-amine
CID 82934093
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
tert-butyl 3-(piperidin-3-ylamino)azepane-1-carboxylate
CID 107249352
tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107256682
N-(2-ethoxy-2-methylpropyl)piperidin-3-amine
CID 114941103
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79860987
N-(trifluoromethyl)piperidin-3-amine;hydrochloride
CID 145336468

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine (CID 146364052) is (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine is CC(C)(C)OC1OC1N[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine?
The InChIKey is DKQDZRTZIMDLBU-XNWIYYODSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10-9(14-10)13-8-5-4-6-12-7-8/h8-10,12-13H,4-7H2,1-3H3/t8-,9?,10?/m1/s1.
What are the key properties of (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine?
(3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine has a molecular weight of 214.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine is sourced from PubChem (CID 146364052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).