1-pentyl-4-pyrrolidin-2-ylpiperidine

C14H28N2 — CID 63255578

IUPAC1-pentyl-4-pyrrolidin-2-ylpiperidine
SMILESCCCCCN1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H28N2/c1-2-3-4-10-16-11-7-13(8-12-16)14-6-5-9-15-14/h13-15H,2-12H2,1H3
InChIKeyXLNBOEMFRLJGSH-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About 1-pentyl-4-pyrrolidin-2-ylpiperidine

1-pentyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 63255578) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-pentyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-pentyl-4-pyrrolidin-2-ylpiperidine
PubChem CID63255578
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-pentyl-4-pyrrolidin-2-ylpiperidine
SMILESCCCCCN1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H28N2/c1-2-3-4-10-16-11-7-13(8-12-16)14-6-5-9-15-14/h13-15H,2-12H2,1H3
InChIKeyXLNBOEMFRLJGSH-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-pentyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-pentyl-4-pyrrolidin-2-ylpiperidine (CID 63255578) is 1-pentyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-pentyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-pentyl-4-pyrrolidin-2-ylpiperidine is CCCCCN1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-pentyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is XLNBOEMFRLJGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-3-4-10-16-11-7-13(8-12-16)14-6-5-9-15-14/h13-15H,2-12H2,1H3.
What are the key properties of 1-pentyl-4-pyrrolidin-2-ylpiperidine?
1-pentyl-4-pyrrolidin-2-ylpiperidine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63255578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).