5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine

C22H36N2O2 — CID 10338595

IUPAC5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1
InChIInChI=1S/C22H36N2O2/c1-3-12-24(16-8-7-15-23-13-5-4-6-14-23)19-17-20-21(25-2)10-9-11-22(20)26-18-19/h9-11,19H,3-8,12-18H2,1-2H3
InChIKeyMLJJVRAVVNCLMN-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.98
Rot. Bonds9

About 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine

5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 10338595) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID10338595
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1
InChIInChI=1S/C22H36N2O2/c1-3-12-24(16-8-7-15-23-13-5-4-6-14-23)19-17-20-21(25-2)10-9-11-22(20)26-18-19/h9-11,19H,3-8,12-18H2,1-2H3
InChIKeyMLJJVRAVVNCLMN-UHFFFAOYSA-N
XLogP3.98
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine (CID 10338595) is 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1.
What is the InChIKey of 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is MLJJVRAVVNCLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-3-12-24(16-8-7-15-23-13-5-4-6-14-23)19-17-20-21(25-2)10-9-11-22(20)26-18-19/h9-11,19H,3-8,12-18H2,1-2H3.
What are the key properties of 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine?
5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 360.54 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-piperidin-1-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 10338595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).