3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine

C17H36N2O — CID 158697410

IUPAC3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCC1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-15(2)18-9-6-12-20-13-16-7-10-19(11-8-16)14-17(3,4)5/h15-16,18H,6-14H2,1-5H3
InChIKeyIHCVAVFSKFHLKX-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds8

About 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine

3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 158697410) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID158697410
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCC1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-15(2)18-9-6-12-20-13-16-7-10-19(11-8-16)14-17(3,4)5/h15-16,18H,6-14H2,1-5H3
InChIKeyIHCVAVFSKFHLKX-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine (CID 158697410) is 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine is CC(C)NCCCOCC1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is IHCVAVFSKFHLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-15(2)18-9-6-12-20-13-16-7-10-19(11-8-16)14-17(3,4)5/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine?
3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 158697410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).