N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine

C20H32N2O2 — CID 46989246

IUPACN-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine
SMILESC=C(C)COc1ccccc1CN(CCOC)C1CCN(C)CC1
InChIInChI=1S/C20H32N2O2/c1-17(2)16-24-20-8-6-5-7-18(20)15-22(13-14-23-4)19-9-11-21(3)12-10-19/h5-8,19H,1,9-16H2,2-4H3
InChIKeyXIMIPQTXLKYTRJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.18
Rot. Bonds9

About N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine

N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 46989246) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine
PubChem CID46989246
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine
SMILESC=C(C)COc1ccccc1CN(CCOC)C1CCN(C)CC1
InChIInChI=1S/C20H32N2O2/c1-17(2)16-24-20-8-6-5-7-18(20)15-22(13-14-23-4)19-9-11-21(3)12-10-19/h5-8,19H,1,9-16H2,2-4H3
InChIKeyXIMIPQTXLKYTRJ-UHFFFAOYSA-N
XLogP3.18
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine (CID 46989246) is N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine is C=C(C)COc1ccccc1CN(CCOC)C1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is XIMIPQTXLKYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-17(2)16-24-20-8-6-5-7-18(20)15-22(13-14-23-4)19-9-11-21(3)12-10-19/h5-8,19H,1,9-16H2,2-4H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine?
N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 332.49 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 46989246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).