1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine

C18H30N2O — CID 43508773

IUPAC1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-16(15-17-7-9-18(21-2)10-8-17)19-11-6-14-20-12-4-3-5-13-20/h7-10,16,19H,3-6,11-15H2,1-2H3
InChIKeyZOXIIFQZKAHDFB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine

1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine (PubChem CID 43508773) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
PubChem CID43508773
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-16(15-17-7-9-18(21-2)10-8-17)19-11-6-14-20-12-4-3-5-13-20/h7-10,16,19H,3-6,11-15H2,1-2H3
InChIKeyZOXIIFQZKAHDFB-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43768273
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine (CID 43508773) is 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine is COc1ccc(CC(C)NCCCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine?
The InChIKey is ZOXIIFQZKAHDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(15-17-7-9-18(21-2)10-8-17)19-11-6-14-20-12-4-3-5-13-20/h7-10,16,19H,3-6,11-15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine?
1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine is sourced from PubChem (CID 43508773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).