1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine

C21H32FNO2 — CID 13263936

IUPAC1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine
SMILESCC1CCCN(CC2COC(C)(C(C)(C)Cc3ccc(F)cc3)O2)C1
InChIInChI=1S/C21H32FNO2/c1-16-6-5-11-23(13-16)14-19-15-24-21(4,25-19)20(2,3)12-17-7-9-18(22)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyZARVNLCHHYLHTO-UHFFFAOYSA-N
MW349.49 g/mol
LogP4.26
Rot. Bonds5

About 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine

1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine (PubChem CID 13263936) has the molecular formula C21H32FNO2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine
PubChem CID13263936
Molecular FormulaC21H32FNO2
Molecular Weight349.49 g/mol
Exact Mass349.24
IUPAC Name1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine
SMILESCC1CCCN(CC2COC(C)(C(C)(C)Cc3ccc(F)cc3)O2)C1
InChIInChI=1S/C21H32FNO2/c1-16-6-5-11-23(13-16)14-19-15-24-21(4,25-19)20(2,3)12-17-7-9-18(22)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyZARVNLCHHYLHTO-UHFFFAOYSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine?
The IUPAC name of 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine (CID 13263936) is 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine?
The canonical SMILES for 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine is CC1CCCN(CC2COC(C)(C(C)(C)Cc3ccc(F)cc3)O2)C1.
What is the InChIKey of 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine?
The InChIKey is ZARVNLCHHYLHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO2/c1-16-6-5-11-23(13-16)14-19-15-24-21(4,25-19)20(2,3)12-17-7-9-18(22)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3.
What are the key properties of 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine?
1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine has a molecular weight of 349.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 13263936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).