1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine

C14H28N2O — CID 112703556

IUPAC1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
SMILESCOCCCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H28N2O/c1-17-11-3-2-9-16-10-5-6-13(12-16)14-7-4-8-15-14/h13-15H,2-12H2,1H3
InChIKeyXCGTXMZQEZCTMS-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine

1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 112703556) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID112703556
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
SMILESCOCCCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H28N2O/c1-17-11-3-2-9-16-10-5-6-13(12-16)14-7-4-8-15-14/h13-15H,2-12H2,1H3
InChIKeyXCGTXMZQEZCTMS-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
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

6-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 104563880
(4aS,7aS)-6-[3-(2-methoxyethoxy)propyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103411168
1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761
3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
CID 64872115
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429
1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190
1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine
CID 60978303
1-decyl-4-pyrrolidin-2-ylpiperidine
CID 63404665
1-(4-methoxybutyl)-3-propan-2-yl-1,4-diazepane
CID 64949735
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine (CID 112703556) is 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine is COCCCCN1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is XCGTXMZQEZCTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-11-3-2-9-16-10-5-6-13(12-16)14-7-4-8-15-14/h13-15H,2-12H2,1H3.
What are the key properties of 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine?
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 112703556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).