N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine

C11H24N2O2 — CID 114503218

IUPACN-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine
SMILESCOC(CNC1CCN(C)CC1C)OC
InChIInChI=1S/C11H24N2O2/c1-9-8-13(2)6-5-10(9)12-7-11(14-3)15-4/h9-12H,5-8H2,1-4H3
InChIKeyURUKOZKLMKOQCZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.54
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine

N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine (PubChem CID 114503218) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine
PubChem CID114503218
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine
SMILESCOC(CNC1CCN(C)CC1C)OC
InChIInChI=1S/C11H24N2O2/c1-9-8-13(2)6-5-10(9)12-7-11(14-3)15-4/h9-12H,5-8H2,1-4H3
InChIKeyURUKOZKLMKOQCZ-UHFFFAOYSA-N
XLogP0.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
methyl 2-bromo-3-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 103268568
(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
CID 104931127
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 115714557
N-(1-methoxypropan-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115664125
1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 176675930
N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718324
N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine
CID 107900391
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115716647

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine (CID 114503218) is N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine is COC(CNC1CCN(C)CC1C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is URUKOZKLMKOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9-8-13(2)6-5-10(9)12-7-11(14-3)15-4/h9-12H,5-8H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine?
N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 216.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114503218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).