4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine

C16H31FN2 — CID 167282452

IUPAC4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCC(C)N1CCC(CN2CCC(F)(C(C)C)CC2)C1
InChIInChI=1S/C16H31FN2/c1-13(2)16(17)6-9-18(10-7-16)11-15-5-8-19(12-15)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeySEVRJSFGGAQUNC-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.18
Rot. Bonds4

About 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine

4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 167282452) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
PubChem CID167282452
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCC(C)N1CCC(CN2CCC(F)(C(C)C)CC2)C1
InChIInChI=1S/C16H31FN2/c1-13(2)16(17)6-9-18(10-7-16)11-15-5-8-19(12-15)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeySEVRJSFGGAQUNC-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine (CID 167282452) is 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine is CC(C)N1CCC(CN2CCC(F)(C(C)C)CC2)C1.
What is the InChIKey of 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is SEVRJSFGGAQUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2/c1-13(2)16(17)6-9-18(10-7-16)11-15-5-8-19(12-15)14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 270.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-propan-2-yl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 167282452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).