3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine

C16H25N3O — CID 141468642

IUPAC3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCN)C(=NOCc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-14-8-11-19(10-5-9-17)16(12-14)18-20-13-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3
InChIKeyCFNTWPVOPGXEGL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds6

About 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine

3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine (PubChem CID 141468642) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine
PubChem CID141468642
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCN)C(=NOCc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-14-8-11-19(10-5-9-17)16(12-14)18-20-13-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3
InChIKeyCFNTWPVOPGXEGL-UHFFFAOYSA-N
XLogP2.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine (CID 141468642) is 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine is CC1CCN(CCCN)C(=NOCc2ccccc2)C1.
What is the InChIKey of 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine?
The InChIKey is CFNTWPVOPGXEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14-8-11-19(10-5-9-17)16(12-14)18-20-13-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3.
What are the key properties of 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine?
3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-phenylmethoxyiminopiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 141468642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).