[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine

C13H28N2O — CID 107160540

IUPAC[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-12(2,3)16-10-9-15-7-5-13(4,11-14)6-8-15/h5-11,14H2,1-4H3
InChIKeyKZRCECDSQBQLJD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds4

About [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine

[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine (PubChem CID 107160540) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
PubChem CID107160540
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-12(2,3)16-10-9-15-7-5-13(4,11-14)6-8-15/h5-11,14H2,1-4H3
InChIKeyKZRCECDSQBQLJD-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine
CID 107160532
9-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-diazaspiro[5.5]undecane
CID 176630003
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
CID 103994003
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160604
1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58364990
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
CID 112588403
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]propanamide
CID 107160625
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine
CID 112588468
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
CID 176757500

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine (CID 107160540) is [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine is CC1(CN)CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine?
The InChIKey is KZRCECDSQBQLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2,3)16-10-9-15-7-5-13(4,11-14)6-8-15/h5-11,14H2,1-4H3.
What are the key properties of [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine?
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 107160540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).