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

C15H21NO2 — CID 173230809

IUPAC1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine
SMILESCC1(c2ccccc2N2CCCCC2)OCCO1
InChIInChI=1S/C15H21NO2/c1-15(17-11-12-18-15)13-7-3-4-8-14(13)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyCSNWUZNPLVADKA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.90
Rot. Bonds2

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

1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine (PubChem CID 173230809) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine
PubChem CID173230809
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine
SMILESCC1(c2ccccc2N2CCCCC2)OCCO1
InChIInChI=1S/C15H21NO2/c1-15(17-11-12-18-15)13-7-3-4-8-14(13)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyCSNWUZNPLVADKA-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine?
The IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine (CID 173230809) is 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine.
What is the SMILES notation for 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine?
The canonical SMILES for 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine is CC1(c2ccccc2N2CCCCC2)OCCO1.
What is the InChIKey of 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine?
The InChIKey is CSNWUZNPLVADKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(17-11-12-18-15)13-7-3-4-8-14(13)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine?
1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine is sourced from PubChem (CID 173230809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).