[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).