N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine

C14H30N2O — CID 55070601

IUPACN-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCCOC1CCN(CCCNC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-5-17-13-7-11-16(12-8-13)10-6-9-15-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyPARNUDDYIQPJHC-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds6

About N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine

N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 55070601) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID55070601
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCCOC1CCN(CCCNC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-5-17-13-7-11-16(12-8-13)10-6-9-15-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyPARNUDDYIQPJHC-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine (CID 55070601) is N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine is CCOC1CCN(CCCNC(C)(C)C)CC1.
What is the InChIKey of N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is PARNUDDYIQPJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-17-13-7-11-16(12-8-13)10-6-9-15-14(2,3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine?
N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55070601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).