3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine

C12H26N2O — CID 106587324

IUPAC3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
SMILESCOCC1CCCN(CC(C)(C)CN)C1
InChIInChI=1S/C12H26N2O/c1-12(2,9-13)10-14-6-4-5-11(7-14)8-15-3/h11H,4-10,13H2,1-3H3
InChIKeyTXQKTDJBYQWNGQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

About 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine

3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine (PubChem CID 106587324) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
PubChem CID106587324
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
SMILESCOCC1CCCN(CC(C)(C)CN)C1
InChIInChI=1S/C12H26N2O/c1-12(2,9-13)10-14-6-4-5-11(7-14)8-15-3/h11H,4-10,13H2,1-3H3
InChIKeyTXQKTDJBYQWNGQ-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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Related Compounds

2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62262995
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
CID 65254280
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-ol
CID 106589129
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
CID 106589084
3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 106588528
2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
CID 114800052
4-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylbutanethioamide
CID 106586975

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine (CID 106587324) is 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine is COCC1CCCN(CC(C)(C)CN)C1.
What is the InChIKey of 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is TXQKTDJBYQWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,9-13)10-14-6-4-5-11(7-14)8-15-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine?
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine 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 3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 106587324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).