(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone

C18H25FN2O2 — CID 166313307

IUPAC(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCC1(C)CC(C(=O)N2CC(F)(CO)C2)CN1Cc1ccccc1
InChIInChI=1S/C18H25FN2O2/c1-17(2)8-15(16(23)20-11-18(19,12-20)13-22)10-21(17)9-14-6-4-3-5-7-14/h3-7,15,22H,8-13H2,1-2H3
InChIKeyFPABMERLOICVJI-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.83
Rot. Bonds4

About (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone

(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 166313307) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID166313307
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCC1(C)CC(C(=O)N2CC(F)(CO)C2)CN1Cc1ccccc1
InChIInChI=1S/C18H25FN2O2/c1-17(2)8-15(16(23)20-11-18(19,12-20)13-22)10-21(17)9-14-6-4-3-5-7-14/h3-7,15,22H,8-13H2,1-2H3
InChIKeyFPABMERLOICVJI-UHFFFAOYSA-N
XLogP1.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,4-dibenzyl-5,5-dimethylpiperazine-1-carboxylic acid
CID 90977597
(E)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 87175148
(Z)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 22496642
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
CID 155126918
methyl (3S)-1-benzyl-5,5-difluoropiperidine-3-carboxylate
CID 97357046
2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
CID 117021321
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate
CID 22507419
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone (CID 166313307) is (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone is CC1(C)CC(C(=O)N2CC(F)(CO)C2)CN1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is FPABMERLOICVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-17(2)8-15(16(23)20-11-18(19,12-20)13-22)10-21(17)9-14-6-4-3-5-7-14/h3-7,15,22H,8-13H2,1-2H3.
What are the key properties of (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone?
(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 320.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5,5-dimethylpyrrolidin-3-yl)-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 166313307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).