3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine

C15H31N3O — CID 63167922

IUPAC3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
SMILESCOCCCNCCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H31N3O/c1-19-13-5-7-16-8-12-17-11-6-15(14-17)18-9-3-2-4-10-18/h15-16H,2-14H2,1H3
InChIKeyJJQBCRHYLRPPAR-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds8

About 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine

3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine (PubChem CID 63167922) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
PubChem CID63167922
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
SMILESCOCCCNCCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H31N3O/c1-19-13-5-7-16-8-12-17-11-6-15(14-17)18-9-3-2-4-10-18/h15-16H,2-14H2,1H3
InChIKeyJJQBCRHYLRPPAR-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 79936511
3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 55158969
N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 55158579
4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 63167841
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-(2-methoxyethyl)ethanamine
CID 55165795
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 55089962
2-(4-methoxybutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115277631
2-(5-methoxypentyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114129851
1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089801
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine
CID 62574425
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine (CID 63167922) is 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine is COCCCNCCN1CCC(N2CCCCC2)C1.
What is the InChIKey of 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine?
The InChIKey is JJQBCRHYLRPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-19-13-5-7-16-8-12-17-11-6-15(14-17)18-9-3-2-4-10-18/h15-16H,2-14H2,1H3.
What are the key properties of 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine?
3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63167922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).