1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine

C16H31FN2O — CID 155582614

IUPAC1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine
SMILESCC(C)CN1CCC(COC2CCN(CF)CC2)CC1
InChIInChI=1S/C16H31FN2O/c1-14(2)11-18-7-3-15(4-8-18)12-20-16-5-9-19(13-17)10-6-16/h14-16H,3-13H2,1-2H3
InChIKeyFJUIOFMIGULHGS-UHFFFAOYSA-N
MW286.43 g/mol
LogP2.76
Rot. Bonds6

About 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine

1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine (PubChem CID 155582614) has the molecular formula C16H31FN2O and a molecular weight of 286.43 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine.

Molecular Properties

Compound Name1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine
PubChem CID155582614
Molecular FormulaC16H31FN2O
Molecular Weight286.43 g/mol
Exact Mass286.24
IUPAC Name1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine
SMILESCC(C)CN1CCC(COC2CCN(CF)CC2)CC1
InChIInChI=1S/C16H31FN2O/c1-14(2)11-18-7-3-15(4-8-18)12-20-16-5-9-19(13-17)10-6-16/h14-16H,3-13H2,1-2H3
InChIKeyFJUIOFMIGULHGS-UHFFFAOYSA-N
XLogP2.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine?
The IUPAC name of 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine (CID 155582614) is 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine.
What is the SMILES notation for 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine?
The canonical SMILES for 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine is CC(C)CN1CCC(COC2CCN(CF)CC2)CC1.
What is the InChIKey of 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine?
The InChIKey is FJUIOFMIGULHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2O/c1-14(2)11-18-7-3-15(4-8-18)12-20-16-5-9-19(13-17)10-6-16/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine?
1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine has a molecular weight of 286.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine is sourced from PubChem (CID 155582614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).