N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine

C16H34N2O — CID 63973765

IUPACN-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
SMILESCOCC1CCN(CC(C)(C)CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18-9-7-14(8-10-18)11-19-6/h14,17H,7-13H2,1-6H3
InChIKeyIVXFDUHSMBNRAU-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds6

About N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine

N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine (PubChem CID 63973765) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
PubChem CID63973765
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
SMILESCOCC1CCN(CC(C)(C)CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18-9-7-14(8-10-18)11-19-6/h14,17H,7-13H2,1-6H3
InChIKeyIVXFDUHSMBNRAU-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine
CID 64583581
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
CID 114800051
2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 64791191
N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001
3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 63972792
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
ethyl 2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 63972573
[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 22236505
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine (CID 63973765) is N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine is COCC1CCN(CC(C)(C)CNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is IVXFDUHSMBNRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2,3)17-12-16(4,5)13-18-9-7-14(8-10-18)11-19-6/h14,17H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 63973765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).