ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine

C21H38N2O2 — CID 142364751

IUPACethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine
SMILESCC.COC1CCCN(CCCOCCCc2cccc(CN)c2)C1
InChIInChI=1S/C19H32N2O2.C2H6/c1-22-19-9-3-10-21(16-19)11-5-13-23-12-4-8-17-6-2-7-18(14-17)15-20;1-2/h2,6-7,14,19H,3-5,8-13,15-16,20H2,1H3;1-2H3
InChIKeyFCNXOVDXEHVGRD-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.62
Rot. Bonds10

About ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine

ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine (PubChem CID 142364751) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine.

Molecular Properties

Compound Nameethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine
PubChem CID142364751
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Nameethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine
SMILESCC.COC1CCCN(CCCOCCCc2cccc(CN)c2)C1
InChIInChI=1S/C19H32N2O2.C2H6/c1-22-19-9-3-10-21(16-19)11-5-13-23-12-4-8-17-6-2-7-18(14-17)15-20;1-2/h2,6-7,14,19H,3-5,8-13,15-16,20H2,1H3;1-2H3
InChIKeyFCNXOVDXEHVGRD-UHFFFAOYSA-N
XLogP3.62
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine 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

[3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine
CID 142385955
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
3-chloro-N-[2-(3-methoxypiperidin-1-yl)ethyl]aniline
CID 102968345
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
3-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 102958115
1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine
CID 102956385
3-methoxy-1-(3-piperidin-4-yloxypropyl)piperidine
CID 102963853
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021

Frequently Asked Questions

What is the IUPAC name of ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine?
The IUPAC name of ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine (CID 142364751) is ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine.
What is the SMILES notation for ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine?
The canonical SMILES for ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine is CC.COC1CCCN(CCCOCCCc2cccc(CN)c2)C1.
What is the InChIKey of ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine?
The InChIKey is FCNXOVDXEHVGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.C2H6/c1-22-19-9-3-10-21(16-19)11-5-13-23-12-4-8-17-6-2-7-18(14-17)15-20;1-2/h2,6-7,14,19H,3-5,8-13,15-16,20H2,1H3;1-2H3.
What are the key properties of ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine?
ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine has a molecular weight of 350.55 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine is sourced from PubChem (CID 142364751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).