1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine

C15H24N2O — CID 117374676

IUPAC1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
SMILESCOc1ccc(N2CCCCC2)c(CC(C)N)c1
InChIInChI=1S/C15H24N2O/c1-12(16)10-13-11-14(18-2)6-7-15(13)17-8-4-3-5-9-17/h6-7,11-12H,3-5,8-10,16H2,1-2H3
InChIKeyMXMNHQPLBLJYBZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.58
Rot. Bonds4

About 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine

1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine (PubChem CID 117374676) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
PubChem CID117374676
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
SMILESCOc1ccc(N2CCCCC2)c(CC(C)N)c1
InChIInChI=1S/C15H24N2O/c1-12(16)10-13-11-14(18-2)6-7-15(13)17-8-4-3-5-9-17/h6-7,11-12H,3-5,8-10,16H2,1-2H3
InChIKeyMXMNHQPLBLJYBZ-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine
CID 117341151
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol
CID 117316095
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 114860582
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
CID 117447811
1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117466204

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine?
The IUPAC name of 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine (CID 117374676) is 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine is COc1ccc(N2CCCCC2)c(CC(C)N)c1.
What is the InChIKey of 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine?
The InChIKey is MXMNHQPLBLJYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(16)10-13-11-14(18-2)6-7-15(13)17-8-4-3-5-9-17/h6-7,11-12H,3-5,8-10,16H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine?
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine is sourced from PubChem (CID 117374676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).