1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine

C14H19NO2 — CID 24806102

IUPAC1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
SMILESc1cc(N2CCCCC2)ccc1C1OCCO1
InChIInChI=1S/C14H19NO2/c1-2-8-15(9-3-1)13-6-4-12(5-7-13)14-16-10-11-17-14/h4-7,14H,1-3,8-11H2
InChIKeyIJEYVJCNPUXFAV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.72
Rot. Bonds2

About 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine

1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine (PubChem CID 24806102) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
PubChem CID24806102
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
SMILESc1cc(N2CCCCC2)ccc1C1OCCO1
InChIInChI=1S/C14H19NO2/c1-2-8-15(9-3-1)13-6-4-12(5-7-13)14-16-10-11-17-14/h4-7,14H,1-3,8-11H2
InChIKeyIJEYVJCNPUXFAV-UHFFFAOYSA-N
XLogP2.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine?
The IUPAC name of 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine (CID 24806102) is 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine.
What is the SMILES notation for 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine?
The canonical SMILES for 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine is c1cc(N2CCCCC2)ccc1C1OCCO1.
What is the InChIKey of 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine?
The InChIKey is IJEYVJCNPUXFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-8-15(9-3-1)13-6-4-12(5-7-13)14-16-10-11-17-14/h4-7,14H,1-3,8-11H2.
What are the key properties of 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine?
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine has a molecular weight of 233.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine is sourced from PubChem (CID 24806102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).