N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine

C11H22N2O2 — CID 104931468

IUPACN-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(C(C)COC)CCC1=NO
InChIInChI=1S/C11H22N2O2/c1-4-10-7-13(9(2)8-15-3)6-5-11(10)12-14/h9-10,14H,4-8H2,1-3H3
InChIKeyGALJDJCXEYQCJN-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.58
Rot. Bonds4

About N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine

N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine (PubChem CID 104931468) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine
PubChem CID104931468
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(C(C)COC)CCC1=NO
InChIInChI=1S/C11H22N2O2/c1-4-10-7-13(9(2)8-15-3)6-5-11(10)12-14/h9-10,14H,4-8H2,1-3H3
InChIKeyGALJDJCXEYQCJN-UHFFFAOYSA-N
XLogP1.58
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine (CID 104931468) is N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine is CCC1CN(C(C)COC)CCC1=NO.
What is the InChIKey of N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is GALJDJCXEYQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-10-7-13(9(2)8-15-3)6-5-11(10)12-14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 214.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).