N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine

C16H26N2O — CID 102961556

IUPACN-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1N1CCCC(OC)C1
InChIInChI=1S/C16H26N2O/c1-3-10-17-12-14-7-4-5-9-16(14)18-11-6-8-15(13-18)19-2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3
InChIKeyIHEOOWYEBJSNEA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds6

About N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine

N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 102961556) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID102961556
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1N1CCCC(OC)C1
InChIInChI=1S/C16H26N2O/c1-3-10-17-12-14-7-4-5-9-16(14)18-11-6-8-15(13-18)19-2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3
InChIKeyIHEOOWYEBJSNEA-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
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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Related Compounds

[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102968090
1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
CID 107085484
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059153
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 102967782
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 102967726
N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073711
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenyl]methyl]propan-1-amine
CID 43628414
1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836661
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine (CID 102961556) is N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1N1CCCC(OC)C1.
What is the InChIKey of N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is IHEOOWYEBJSNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-10-17-12-14-7-4-5-9-16(14)18-11-6-8-15(13-18)19-2/h4-5,7,9,15,17H,3,6,8,10-13H2,1-2H3.
What are the key properties of N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine?
N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 102961556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).