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

C18H30N2O — CID 43768273

IUPAC1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCCN1CCCCC1
InChIInChI=1S/C18H30N2O/c1-16(15-17-9-4-5-10-18(17)21-2)19-11-8-14-20-12-6-3-7-13-20/h4-5,9-10,16,19H,3,6-8,11-15H2,1-2H3
InChIKeyMNJVNTGZPTUMNB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds8

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

1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine (PubChem CID 43768273) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
PubChem CID43768273
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCCN1CCCCC1
InChIInChI=1S/C18H30N2O/c1-16(15-17-9-4-5-10-18(17)21-2)19-11-8-14-20-12-6-3-7-13-20/h4-5,9-10,16,19H,3,6-8,11-15H2,1-2H3
InChIKeyMNJVNTGZPTUMNB-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

N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43508773
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
CID 103905511
N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 63828165
1-[3-(azepan-1-yl)propyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111325522
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine (CID 43768273) is 1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine is COc1ccccc1CC(C)NCCCN1CCCCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine?
The InChIKey is MNJVNTGZPTUMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(15-17-9-4-5-10-18(17)21-2)19-11-8-14-20-12-6-3-7-13-20/h4-5,9-10,16,19H,3,6-8,11-15H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine?
1-(2-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-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine is sourced from PubChem (CID 43768273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).