1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine

C13H25NO2 — CID 141349469

IUPAC1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine
SMILESC(CCC1OCCO1)CCN1CCCCC1
InChIInChI=1S/C13H25NO2/c1(3-7-13-15-11-12-16-13)4-8-14-9-5-2-6-10-14/h13H,1-12H2
InChIKeyMCIXWMAMKCZNBX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.41
Rot. Bonds6

About 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine

1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine (PubChem CID 141349469) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine.

Molecular Properties

Compound Name1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine
PubChem CID141349469
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine
SMILESC(CCC1OCCO1)CCN1CCCCC1
InChIInChI=1S/C13H25NO2/c1(3-7-13-15-11-12-16-13)4-8-14-9-5-2-6-10-14/h13H,1-12H2
InChIKeyMCIXWMAMKCZNBX-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[5-(1,3-dioxolan-2-yl)pentyl]piperidine?
The IUPAC name of 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine (CID 141349469) is 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine.
What is the SMILES notation for 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine?
The canonical SMILES for 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine is C(CCC1OCCO1)CCN1CCCCC1.
What is the InChIKey of 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine?
The InChIKey is MCIXWMAMKCZNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1(3-7-13-15-11-12-16-13)4-8-14-9-5-2-6-10-14/h13H,1-12H2.
What are the key properties of 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine?
1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine has a molecular weight of 227.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine is sourced from PubChem (CID 141349469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).