[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine

C12H26N2O — CID 22236505

IUPAC[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine
SMILESCOCC(C)(C)CN1CCC(CN)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,10-15-3)9-14-6-4-11(8-13)5-7-14/h11H,4-10,13H2,1-3H3
InChIKeyVHDMYINYTDCBMM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

About [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine

[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine (PubChem CID 22236505) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine
PubChem CID22236505
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine
SMILESCOCC(C)(C)CN1CCC(CN)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,10-15-3)9-14-6-4-11(8-13)5-7-14/h11H,4-10,13H2,1-3H3
InChIKeyVHDMYINYTDCBMM-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine (CID 22236505) is [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine is COCC(C)(C)CN1CCC(CN)CC1.
What is the InChIKey of [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine?
The InChIKey is VHDMYINYTDCBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,10-15-3)9-14-6-4-11(8-13)5-7-14/h11H,4-10,13H2,1-3H3.
What are the key properties of [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine?
[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 22236505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).