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

C18H35FN2 — CID 155484891

IUPAC1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C(C)(C)C2(F)CCN(C(C)C)C2)CC1
InChIInChI=1S/C18H35FN2/c1-14(2)16-7-10-21(11-8-16)17(5,6)18(19)9-12-20(13-18)15(3)4/h14-16H,7-13H2,1-6H3
InChIKeyWQQNVTFTGAKDQE-UHFFFAOYSA-N
MW298.49 g/mol
LogP3.96
Rot. Bonds4

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

1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine (PubChem CID 155484891) has the molecular formula C18H35FN2 and a molecular weight of 298.49 g/mol. Its IUPAC name is 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine
PubChem CID155484891
Molecular FormulaC18H35FN2
Molecular Weight298.49 g/mol
Exact Mass298.28
IUPAC Name1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C(C)(C)C2(F)CCN(C(C)C)C2)CC1
InChIInChI=1S/C18H35FN2/c1-14(2)16-7-10-21(11-8-16)17(5,6)18(19)9-12-20(13-18)15(3)4/h14-16H,7-13H2,1-6H3
InChIKeyWQQNVTFTGAKDQE-UHFFFAOYSA-N
XLogP3.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine (CID 155484891) is 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine is CC(C)C1CCN(C(C)(C)C2(F)CCN(C(C)C)C2)CC1.
What is the InChIKey of 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine?
The InChIKey is WQQNVTFTGAKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2/c1-14(2)16-7-10-21(11-8-16)17(5,6)18(19)9-12-20(13-18)15(3)4/h14-16H,7-13H2,1-6H3.
What are the key properties of 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine?
1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine has a molecular weight of 298.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 155484891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).