N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C18H30N2O — CID 63058487

IUPACN-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCOC1CCN(c2ccc(CNC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-5-21-17-10-12-20(13-11-17)16-8-6-15(7-9-16)14-19-18(2,3)4/h6-9,17,19H,5,10-14H2,1-4H3
InChIKeyKHWDDTAPNAWYPF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.58
Rot. Bonds5

About N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63058487) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63058487
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCOC1CCN(c2ccc(CNC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-5-21-17-10-12-20(13-11-17)16-8-6-15(7-9-16)14-19-18(2,3)4/h6-9,17,19H,5,10-14H2,1-4H3
InChIKeyKHWDDTAPNAWYPF-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 63058487) is N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is CCOC1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.
What is the InChIKey of N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KHWDDTAPNAWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-21-17-10-12-20(13-11-17)16-8-6-15(7-9-16)14-19-18(2,3)4/h6-9,17,19H,5,10-14H2,1-4H3.
What are the key properties of N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63058487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).