[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine

C12H26N2O — CID 112589800

IUPAC[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
SMILESCC(C)(C)OCCN1CCCCC1CN
InChIInChI=1S/C12H26N2O/c1-12(2,3)15-9-8-14-7-5-4-6-11(14)10-13/h11H,4-10,13H2,1-3H3
InChIKeyFWMKHUNSEIIDRQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds4

About [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine

[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine (PubChem CID 112589800) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
PubChem CID112589800
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
SMILESCC(C)(C)OCCN1CCCCC1CN
InChIInChI=1S/C12H26N2O/c1-12(2,3)15-9-8-14-7-5-4-6-11(14)10-13/h11H,4-10,13H2,1-3H3
InChIKeyFWMKHUNSEIIDRQ-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azepan-2-yl]methanamine
CID 116640435
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methyl]ethanamine
CID 112589848
2-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 112591756
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
(1-butylazepan-2-yl)methanamine
CID 116640391
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine (CID 112589800) is [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine is CC(C)(C)OCCN1CCCCC1CN.
What is the InChIKey of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine?
The InChIKey is FWMKHUNSEIIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)15-9-8-14-7-5-4-6-11(14)10-13/h11H,4-10,13H2,1-3H3.
What are the key properties of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine?
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 112589800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).