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

C18H30N2O — CID 62427122

IUPACN-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN1CCC(OCC)CC1
InChIInChI=1S/C18H30N2O/c1-3-11-19-14-16-7-5-6-8-17(16)15-20-12-9-18(10-13-20)21-4-2/h5-8,18-19H,3-4,9-15H2,1-2H3
InChIKeyZOJVTHPMKJLNDD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.19
Rot. Bonds8

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

N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 62427122) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID62427122
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN1CCC(OCC)CC1
InChIInChI=1S/C18H30N2O/c1-3-11-19-14-16-7-5-6-8-17(16)15-20-12-9-18(10-13-20)21-4-2/h5-8,18-19H,3-4,9-15H2,1-2H3
InChIKeyZOJVTHPMKJLNDD-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62427121
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62282809
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102968090
N-[2-(4-ethoxypiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62427479
2-bromo-3-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 114048479
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63620637
2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
CID 112553476
[3-[(4-ethoxypiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62470788
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62420584
4-ethoxy-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111960507

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine (CID 62427122) is N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1CN1CCC(OCC)CC1.
What is the InChIKey of N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is ZOJVTHPMKJLNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-19-14-16-7-5-6-8-17(16)15-20-12-9-18(10-13-20)21-4-2/h5-8,18-19H,3-4,9-15H2,1-2H3.
What are the key properties of N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62427122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).